(8r,9s,13s,14s,17s)-13-Methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxiran]-3-ol

HCID 259690

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Basic information

CAS: 16669-01-5
Standard SMILES: C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CO1
InChIKey: PJSPSVNEDZUBIG-ZSXDVEMLSA-N
Molecular formula: C19H24O2
Average molar mass: 284.4 g/mol
Monoisotopic mass: 284.17763

Names & identifiers

Preferred name: (8r,9s,13s,14s,17s)-13-Methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxiran]-3-ol
IUPAC: (8R,9S,13S,14S,17S)-13-methylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol

Names & synonyms

16669-01-5NSC89841(8r,9s,13s,14s,17s)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxiran]-3-olSCHEMBL7778465DTXSID10293486NSC-89841(1S,3aS,3bR,9bS,11aS)-11a-methyl-2,3,3a,3b,4,5,9b,10,11,11a-decahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxiran]-7-ol

Database identifiers

CAS: 16669-01-5
PubChem CID: 259690
DTXSID: DTXSID10293486
Nikkaji: J2.591.004D

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 449

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