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17,18-Cyclopregnan-20-one, (5.alpha.)-
SpectraBase Compound ID 2mbLXSKppSO
InChI InChI=1S/C21H32O/c1-14(22)20-11-9-18-16-7-6-15-5-3-4-10-19(15,2)17(16)8-12-21(18,20)13-20/h15-18H,3-13H2,1-2H3/t15-,16-,17+,18+,19+,20+,21-/m1/s1
InChIKey YGYLHAYTOVUMLS-URNIPBEBSA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LETZEeV98n
Name 17,18-Cyclopregnan-20-one, (5.alpha.)-
CAS Registry Number 69063-92-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O
InChI InChI=1S/C21H32O/c1-14(22)20-11-9-18-16-7-6-15-5-3-4-10-19(15,2)17(16)8-12-21(18,20)13-20/h15-18H,3-13H2,1-2H3/t15-,16-,17+,18+,19+,20+,21-/m1/s1
InChIKey YGYLHAYTOVUMLS-URNIPBEBSA-N
Molecular Weight 300.486 g/mol
SMILES [C@@]123[C@](CC[C@]3([C@@]3(CC[C@@]4([C@]([C@]3(CC1)[H])(C)CCCC4)[H])[H])[H])(C(=O)C)C2
SPLASH splash10-0udi-3029000000-612923ed95a1ea7ded25
Source of Spectrum F-34-1533-0
Synonyms 17H-Cyclopropa[13,17]cyclopenta[a]phenanthrene,17,18-cyclopregnan-20-one deriv. 1-((1aR,3aS,3bR,5aR,9aS,9bS,11aR)-9a-methyltetradecahydro-1H-cyclopropa[2,3]cyclopenta[1,2-a]phenanthren-1a(2H)-yl)ethanone 13,16.beta.-cyclopropyl-5.alpha.-pregnan-20-one
Wiley ID 1303466