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3beta-Hydroxy-16-cyclopentylmethylen-delta5-androsten-17-one
SpectraBase Compound ID KKRoX62xZHQ
InChI InChI=1S/C25H36O2/c1-24-11-9-19(26)15-18(24)7-8-20-21(24)10-12-25(2)22(20)14-17(23(25)27)13-16-5-3-4-6-16/h7,13,16,19-22,26H,3-6,8-12,14-15H2,1-2H3/t19-,20+,21-,22-,24-,25-/m0/s1
InChIKey ITMKZKHHLRKBSS-JMTDQOONSA-N
Mol Weight 368.6 g/mol
Molecular Formula C25H36O2
Exact Mass 368.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RQ8XcXgzT5
Name 3beta-Hydroxy-16-cyclopentylmethylen-delta5-androsten-17-one
Alternate Name(s) (3S,8R,9S,10R,13S,14S)-16-(cyclopentylmethylene)-3-hydroxy-10,13-dimethyl-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 C25H36O2
InChI InChI=1S/C25H36O2/c1-24-11-9-19(26)15-18(24)7-8-20-21(24)10-12-25(2)22(20)14-17(23(25)27)13-16-5-3-4-6-16/h7,13,16,19-22,26H,3-6,8-12,14-15H2,1-2H3/t19-,20+,21-,22-,24-,25-/m0/s1
InChIKey ITMKZKHHLRKBSS-JMTDQOONSA-N
Molecular Weight 368.561 g/mol
SMILES O[C@@]1(CC=2[C@](CC1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)(C(C(C2)=CC1CCCC1)=O)C)[H])[H])[H])C)[H]
SPLASH splash10-014i-0039000000-817204d44fc2bb7807db
Source of Spectrum K-101-2336-16
Wiley ID 1793347