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Basic information
- CAS
4651-52-9- Standard SMILES
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC(C)C(C)C)CCC32)C1- InChIKey
JOBAYBRAHVTSSW-UHFFFAOYSA-N- Molecular formula
- C30H50O2
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 442.38108083
Names & identifiers
- Preferred name
- 22-Dihydrobrassicasterol acetate
- IUPAC
- [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
22-Dihydrobrassicasterol acetate4651-52-9DTXSID20310794RefChem:267459DTXCID30261920JOBAYBRAHVTSSW-VDJOWXGMSA-NErgost-5-en-3-yl acetateNSC231813NSC-231813
Database identifiers
- CAS
4651-52-9- PubChem CID
- 314396
- DTXSID
DTXSID20310794
Properties
Computed structural propertiesFilling in
- XLogP
- 9.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 722
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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