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(8S,9S,10R,13S,14S,17S)-13-Ethyl-17-hydroxy-11-methylene-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 2o7KH1NxDHZ
InChI InChI=1S/C20H28O2/c1-3-20-11-12(2)19-15-7-5-14(21)10-13(15)4-6-16(19)17(20)8-9-18(20)22/h10,15-19,22H,2-9,11H2,1H3/t15-,16-,17-,18-,19+,20-/m0/s1
InChIKey YDNGALYODUITSZ-SIRBJWHBSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSdP7L3wR88
Name (8S,9S,10R,13S,14S,17S)-13-Ethyl-17-hydroxy-11-methylene-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-3-20-11-12(2)19-15-7-5-14(21)10-13(15)4-6-16(19)17(20)8-9-18(20)22/h10,15-19,22H,2-9,11H2,1H3/t15-,16-,17-,18-,19+,20-/m0/s1
InChIKey YDNGALYODUITSZ-SIRBJWHBSA-N
Molecular Weight 300.442 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@]3(CCC=4[C@@]([C@]3(C(C2)=C)[H])(CCC(=O)C4)[H])[H])(CC1)[H])CC)[H]
SPLASH splash10-001i-0091000000-5da204991ba75dfdfa76
Source of Spectrum QE-14-1549-36
Synonyms 17.beta.-Hydroxy-13.beta.-ethyl-11-methylene-gona-4-en-3-one (8S,9S,10R,13S,14S,17S)-13-ethyl-17-hydroxy-11-methylidene-1,2,6,7,8,9,10,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,13S,14S,17S)-13-ethyl-11-methylidene-17-oxidanyl-1,2,6,7,8,9,10,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Wiley ID 1691906