(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-9-(acetyloxy)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid
Structure Info
- Chemspace ID
- CSSB06256040384 (In-Stock Building Blocks)
- MFCD
- MFCD06217489
- IUPAC Name
- (1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-9-(acetyloxy)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid
- Mol formula
- C32H48O6
- Mol weight
- 529 Da
- Catalog Number(s)
- AA01V345, AG01V36X, ArZ-UP479981, BBC83725411, BBP04664, CFN89222, EC01V5CP, HY-N8768, NP7094, ST01V4NP, TN2988, TX01V4CL, Y4055502, ZX-CY001757
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.27
- Heavy atoms count
- 38
- Rotatable bond count
- 5
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.843
- Polar surface area (Å)
- 101
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
![Chemical structure of (1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-9-(acetyloxy)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid (C32H48O6) - CSSB06256040384](/st/structure/200/c6848c9182da4fccbc7d4b772bab7baa/CC%2528%253DC%2529%255BC%2540%2540H%255D1CC%255BC%2540%2540%255D2%2528CC%255BC%2540%255D3%2528C%2529%255BC%2540H%255D%2528CC%255BC%2540%2540H%255D4%255BC%2540%2540%255D5%2528C%2529CC%255BC%2540%2540H%255D%2528OC%2528C%2529%253DO%2529%255BC%2540%255D%2528C%2529%2528%255BC%2540%2540H%255D5CC%255BC%2540%2540%255D34C%2529C%2528O%2529%253DO%2529%255BC%2540%2540H%255D12%2529C%2528O%2529%253DO.png "C32H48O6")
- Zoom the structure
- CSSB06256040384
Items Overall 3 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific CN | 14 days | China To: | 90 | 5 mg | 2,162.60 | |
Description: 3alpha-Acetoxy-20(29)-lupene-23,28-dioic acid; CAS: 83725-41-1 | ||||||
| eNovation CN | 20 days | China To: | 94 | 5 mg | 1,201.75 | |
Description: 3alpha-Acetoxy-20(29)-lupene-23,28-dioic acid; CAS: 83725-41-1 | ||||||
| Accel Scientific, S.L. | 20 days | China To: | 90 | 5 mg | 4,261.40 | |
Description: 3alpha-Acetoxy-20(29)-lupene-23,28-dioic acid; CAS: 83725-41-1 | ||||||
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Substructure Analogs
![Chemical structure of (1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bS)-9-(acetyloxy)-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,11a-tetramethyl-icosahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid - CSSB00137410718](/st/structure/200/e8a886df6c123b558d9c40984dd2614d/CC%2528%253DO%2529O%255BC%2540%2540H%255D1CC%255BC%2540%255D2%2528C%2529%255BC%2540H%255D3CC%255BC%2540%2540H%255D4%255BC%2540H%255D5%255BC%2540%2540H%255D%2528CC%255BC%2540%2540%255D5%2528CC%255BC%2540%2540%255D4%2528C%2529%255BC%2540%255D3%2528C%2529CC%255BC%2540H%255D2%255BC%2540%255D1%2528C%2529C%2528O%2529%253DO%2529C%2528O%2529%253DO%2529C%2528%253DC%2529CO.png)
Similarity Analogs
![Chemical structure of (1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-(acetyloxy)-5a,5b,8,11a-tetramethyl-icosahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid - CSSB00016993887](/st/structure/200/2c51b0d6edde2b8869ca0d1a7b38b58a/CC%2528%253DO%2529O%255BC%2540%2540H%255D1CC%255BC%2540%255D2%2528C%2529%255BC%2540H%255D3CC%255BC%2540%2540H%255D4%255BC%2540H%255D5%255BC%2540%2540H%255D%2528CC%255BC%2540%2540%255D5%2528CC%255BC%2540%2540%255D4%2528C%2529%255BC%2540%255D3%2528C%2529CC%255BC%2540H%255D2%255BC%2540%255D1%2528C%2529C%2528O%2529%253DO%2529C%2528O%2529%253DO%2529C%2528C%2529%253DO.png)
![Chemical structure of (1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9-(acetyloxy)-10-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid - CSSB00159262452](/st/structure/200/17a4eef9bd6d02b2fb9e55a207e6b9fd/CC%2528%253DC%2529%255BC%2540%2540H%255D1CC%255BC%2540%2540%255D2%2528CC%255BC%2540%255D3%2528C%2529%255BC%2540H%255D%2528CC%255BC%2540%2540H%255D4%255BC%2540%2540%255D5%2528C%2529C%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528OC%2528C%2529%253DO%2529C%2528C%2529%2528C%2529%255BC%2540%2540H%255D5CC%255BC%2540%2540%255D34C%2529%255BC%2540%2540H%255D12%2529C%2528O%2529%253DO.png)
![Chemical structure of (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(3-carboxy-3,3-dimethylpropanoyl)oxy]-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid - CSSB00000069959](/st/structure/200/ce38f8b9339f35d661f7c444532603d4/CC%2528%253DC%2529%255BC%2540%2540H%255D1CC%255BC%2540%2540%255D2%2528CC%255BC%2540%255D3%2528C%2529%255BC%2540H%255D%2528CC%255BC%2540%2540H%255D4%255BC%2540%2540%255D5%2528C%2529CC%255BC%2540H%255D%2528OC%2528%253DO%2529CC%2528C%2529%2528C%2529C%2528O%2529%253DO%2529C%2528C%2529%2528C%2529%255BC%2540%2540H%255D5CC%255BC%2540%2540%255D34C%2529%255BC%2540%2540H%255D12%2529C%2528O%2529%253DO.png)
![Chemical structure of 9-[(3-carboxy-3,3-dimethylpropanoyl)oxy]-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid - CSSB06256037852](/st/structure/200/f7cfadbb881bc505a49cf2f379d1d678/CC%2528%253DC%2529C1CCC2%2528CCC3%2528C%2529C%2528CCC4C5%2528C%2529CCC%2528OC%2528%253DO%2529CC%2528C%2529%2528C%2529C%2528O%2529%253DO%2529C%2528C%2529%2528C%2529C5CCC34C%2529C12%2529C%2528O%2529%253DO.png)
![Chemical structure of (1R,3aS,5aR,5bR,9S,11aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid - CSSB02516458616](/st/structure/200/ef37e20247eef3ff48e8c5fa78c93617/CC%2528%253DC%2529%255BC%2540%2540H%255D1CC%255BC%2540%2540%255D2%2528CC%255BC%2540%255D3%2528C%2529C%2528CCC4%255BC%2540%2540%255D5%2528C%2529CC%255BC%2540H%255D%2528O%2529C%2528C%2529%2528C%2529C5CC%255BC%2540%2540%255D34C%2529C12%2529C%2528O%2529%253DO.png)
![Chemical structure of (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid - CSSB00020666976](/st/structure/200/2314329e6fadbf5c45b44274de066881/CC%2528%253DC%2529%255BC%2540%2540H%255D1CC%255BC%2540%2540%255D2%2528CC%255BC%2540%255D3%2528C%2529%255BC%2540H%255D%2528CC%255BC%2540%2540H%255D4%255BC%2540%2540%255D5%2528C%2529CC%255BC%2540%2540H%255D%2528O%2529C%2528C%2529%2528C%2529%255BC%2540%2540H%255D5CC%255BC%2540%2540%255D34C%2529%255BC%2540%2540H%255D12%2529C%2528O%2529%253DO.png)
