2-alpha-Methyl-A-nor-17-alpha-pregn-20-yne-2-beta,17-beta-diol

(2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-6-ethynyl-2,3a,5a-trimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol

Also Known As: NIOSH/RC9051700|2-alpha-Methyl-A-nor-17-alpha-pregn-20-yne-2-beta,17-beta-diol|2-Methyl-A-nor-17-alpha-pregn-20-yne-2-beta,17-diol|A-Nor-17-alpha-pregn-20-yne-2-beta,17-diol, 2-methyl-|A-Nor-17-alpha-pregn-20-yne-2-beta,17-beta-diol, 2-alpha-methyl-|(17R)-2alpha-Methyl-A-norpregnan-20-yne-2beta,17-diol|(2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-6-ethynyl-2,3a,5a-trimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol|1-Ethynyl-7,8a,10a-trimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol|(1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-1-Ethynyl-7,8a,10a-trimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol

Molecular Formula	C21H32O2
Molecular Weight	316.24023 g/mol
LogP	3.7543
Topological Polar Surface Area	40.46 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	316.24023
Monoisotopic Mass	316.24023
Heavy Atoms	23
Complexity	560.6791

Chemical Identifiers

CAS Number	53-38-3
SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(C[C@](C4)(C)O)C