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3beta-Hydroxy-16-[2,2,4,4-tetramethyl-cyclopentylmethylen]-delta5-androsten-17-one
SpectraBase Compound ID E8v6tD3yjOp
InChI InChI=1S/C29H44O2/c1-26(2)16-20(27(3,4)17-26)13-18-14-24-22-8-7-19-15-21(30)9-11-28(19,5)23(22)10-12-29(24,6)25(18)31/h7,13,20-24,30H,8-12,14-17H2,1-6H3/t20?,21-,22+,23-,24-,28-,29-/m0/s1
InChIKey JTUNDSGMLVHPSE-MNRCIGFYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C29H44O2
Exact Mass 424.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YmISP7eiUZ
Name 3beta-Hydroxy-16-[2,2,4,4-tetramethyl-cyclopentylmethylen]-delta5-androsten-17-one
Alternate Name(s) (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-16-((2,2,4,4-tetramethylcyclopentyl)methylene)-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O2
InChI InChI=1S/C29H44O2/c1-26(2)16-20(27(3,4)17-26)13-18-14-24-22-8-7-19-15-21(30)9-11-28(19,5)23(22)10-12-29(24,6)25(18)31/h7,13,20-24,30H,8-12,14-17H2,1-6H3/t20?,21-,22+,23-,24-,28-,29-/m0/s1
InChIKey JTUNDSGMLVHPSE-MNRCIGFYSA-N
Literature Reference DOI 10.1002/cber.19681010705
Molecular Weight 424.669 g/mol
SMILES O[C@@]1(CC=2[C@](CC1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)(C(C(C2)=CC1CC(CC1(C)C)(C)C)=O)C)[H])[H])[H])C)[H]
SPLASH splash10-00di-0934800000-2db5aa48f89db67e0461
Source of Spectrum K-101-2337-17
Wiley ID 1793348