10',13'-dimethyl-17'-(6-methylheptan-2-yl)-1',7',8',9',10',11',12',13',14',15',16',17'-dodecahydrospiro[cyclopentane-1,4'-cyclopenta[a]phenanthren]-3'(2'H)-one
Basic information
- CAS
6916-08-1- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4C5(CCCC5)C(=O)CCC4(C)C3CCC12C- InChIKey
YWUCHLQDMSCQPX-UHFFFAOYSA-N- Molecular formula
- C31H50O
- Average molar mass
- 438.7 g/mol
- Monoisotopic mass
- 438.38616621
Names & identifiers
- Preferred name
- 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-1',7',8',9',10',11',12',13',14',15',16',17'-dodecahydrospiro[cyclopentane-1,4'-cyclopenta[a]phenanthren]-3'(2'H)-one
- IUPAC
- 10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4,1'-cyclopentane]-3-one
Names & synonyms
6916-08-1NSC171529DTXSID80305727NSC-17152910',13'-dimethyl-17'-(6-methylheptan-2-yl)-1',7',8',9',10',11',12',13',14',15',16',17'-dodecahydrospiro[cyclopentane-1,4'-cyclopenta[a]phenanthren]-3'(2'H)-one9'a,11'a-Dimethyl-1'-(6-methylheptan-2-yl)-2',3',3'a,3'b,4',8',9',9'a,9'b,10',11',11'a-dodecahydrospiro[cyclopentane-1,6'-cyclopenta[a]phenanthren]-7'(1'H)-one
Database identifiers
- CAS
6916-08-1- PubChem CID
- 299087
- DTXSID
DTXSID80305727
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 754
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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