Structure Info
- Chemspace ID
- CSCS06633789337 (Synthesis)
- MFCD
- MFCD28899076
- IUPAC Name
- (2R,3R,4R,6R)-3-(acetyloxy)-2-methyl-6-{2,7,9,11,13-pentahydroxy-5-methyl-3,18-dioxo-19-oxapentacyclo[8.8.1.0¹,¹⁰.0²,⁷.0¹²,¹⁷]nonadeca-4,12,14,16-tetraen-14-yl}oxan-4-yl (2E,4E,6E,8E)-9-[(8-chloro-4,7-dihydroxy-2-oxo-2H-chromen-3-yl)carbamoyl]nona-2,4,6,8-tetraenoate
- Mol formula
- C46H42ClNO18
- Mol weight
- 932 Da
- Catalog Number(s)
- AGN-PC-0R5KLS, G91470
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.49
- Heavy atoms count
- 66
- Rotatable bond count
- 11
- Number of rings
- 8
- Carbon bond saturation, Fsp3
- 0.347
- Polar surface area (Å)
- 306
- Hydrogen bond acceptors count
- 15
- Hydrogen bond donors count
- 8
- Zoom the structure
- CSCS06633789337
Items Overall 1 item from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Astatech CN | 2 days | China To: | 95 | 1 mg | 526 | |
Description: SIMOCYCLINONE D8; CAS: 301845-97-6 | ||||||
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