Structure Info
- Chemspace ID
- CSCS06446553228 (Synthesis)
- IUPAC Name
- (2R,3S,4R,5R,6S)-6-({[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (1S,2R,4aS,6aS,6bR,8R,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate; (2R,3S,4R,5R,6S)-6-({[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (4aS,6aS,6bR,8R,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
- Mol formula
- C96H156O40
- Mol weight
- 1950 Da
- Catalog Number(s)
- 0118 S
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.85
- Heavy atoms count
- 136
- Rotatable bond count
- 20
- Number of rings
- 16
- Carbon bond saturation, Fsp3
- 0.937
- Polar surface area (Å)
- 335
- Hydrogen bond acceptors count
- 19
- Hydrogen bond donors count
- 13
- Zoom the structure
- CSCS06446553228
Items Overall 2 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| EXTRASYNTHESE | 2 days | France To: | 98 | 10 mg | 108 | |
| EXTRASYNTHESE | 2 days | France To: | 98 | 100 mg | 960 | |
Description: mixture of 2 isomers: olean-12-ene and urs-12-ene | ||||||
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