17-(5-Ethyl-6-methylhept-6-en-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol
Basic information
- CAS
120056-15-7- Standard SMILES
C=C(C)C(CC)CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC21C- InChIKey
GHXNTTGYUBGTRM-UHFFFAOYSA-N- Molecular formula
- C30H50O
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.38616621
Names & identifiers
- Preferred name
- 17-(5-Ethyl-6-methylhept-6-en-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol
- IUPAC
- 17-(5-ethyl-6-methylhept-6-en-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
120056-15-717-(5-Ethyl-6-methylhept-6-en-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-olDTXSID409232044-methylstigmasta-7,25-dien-3-ol
Database identifiers
- CAS
120056-15-7- PubChem CID
- 86180
- DTXSID
DTXSID40923204
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 705
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Compound notes
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