10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

HCID 273683

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Basic information

CAS: 570-88-7
Standard SMILES: CC(C)CCCC(C)C1CCC2C3CC(O)C4=CC(O)CCC4(C)C3CCC12C
InChIKey: LZHRRGGNNXYJOT-UHFFFAOYSA-N
Molecular formula: C27H46O2
Average molar mass: 402.7 g/mol
Monoisotopic mass: 402.34978071

Names & identifiers

Preferred name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
IUPAC: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

Names & synonyms

570-88-710,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diolCID 273683Cholest-4-ene-3,6-diolNSC119068SCHEMBL14027264DTXSID80972493AKOS024419916NSC-119068

Database identifiers

CAS: 570-88-7
PubChem CID: 273683
DTXSID: DTXSID80972493

Properties

Computed structural properties

XLogP: 7.3
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 624

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