Basic information
- CAS
28111-34-4- 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@@]31O- InChIKey
VYZRUGATWIYMKD-ZJOPWFDKSA-N- Molecular formula
- C29H45NO9
- Average molar mass
- 551.7 g/mol
- Monoisotopic mass
- 551.30943201
Names & identifiers
- Preferred name
- 3-Acetylcevin
- IUPAC
- [(1R,6S,9S,10R,11S,12S,14R,19S,22R,23S,25R)-1,10,11,12,14,23-hexahydroxy-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-Acetylcevin28111-34-4RefChem:1067265Acetylcevin4,9-Epoxycevane-3-alpha,4-beta,12,14,16-beta,17,20-heptol 3-acetateCEVANE-3-alpha,4-beta,12,14,16-beta,17,20-HEPTOL, 4,9-EPOXY-, 3-ACETATE
Database identifiers
- CAS
28111-34-4- PubChem CID
- 34150
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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