Basic information
- CAS
24158-21-2- Standard SMILES
CC(=O)O[C@@H]1CC[C@@]2(C)C3CCC4[C@]5(O)C[C@H](O)[C@@]6(O)C(CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@]5(O)C[C@@]42O[C@@]31OC(C)=O- InChIKey
RCNOCCZJZIKCMZ-PSODFFRQSA-N- Molecular formula
- C31H47NO10
- Average molar mass
- 593.7 g/mol
- Monoisotopic mass
- 593.3199967
Names & identifiers
- Preferred name
- 3,4-Diacetylcevin
- IUPAC
- [(1R,6S,9S,10R,11S,12S,14R,19S,22R,23R,25R)-23-acetyloxy-1,10,11,12,14-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] acetate
Names & synonyms
3,4-Diacetylcevin24158-21-2RefChem:10657124,9-Epoxycevane-3-alpha,4-beta,12,14,16-beta,17,20-heptol 3,4-diacetateCEVANE-3-alpha,4-beta,12,14,16-beta,17,20-HEPTOL, 4,9-EPOXY-, 3,4-DIACETATEDTXSID7094698612,14,16,17,20-Pentahydroxy-4,9-epoxycevane-3,4-diyl diacetate(5xi,8xi,13xi)-12,14,16,17,20-Pentahydroxy-3alpha,4beta,16beta-4,9-epoxycevane-3,4-diyl diacetate
Database identifiers
- CAS
24158-21-2- PubChem CID
- 32243
- DTXSID
DTXSID70946986
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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