Ergosta-5,7,22-trien-3-one
Basic information
- CAS
23454-50-4- Standard SMILES
CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(=O)CCC4(C)C3CCC21C- InChIKey
XEOYORLWXHMOKT-UHFFFAOYSA-N- Molecular formula
- C28H42O
- Average molar mass
- 394.6 g/mol
- Monoisotopic mass
- 394.32356596
Names & identifiers
- Preferred name
- Ergosta-5,7,22-trien-3-one
- IUPAC
- 17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
23454-50-4ergosta-5,7,22-trien-3-oneDTXSID1028712817-[(Z)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,9,11,12,14,15 ,16,17-decahydrocyclopenta[a]phenanthren-3-one
Database identifiers
- CAS
23454-50-4- PubChem CID
- 241574
- DTXSID
DTXSID10287128
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 752
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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