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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 79jIzjfUBFI
InChI InChI=1S/C30H52O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h11,20-22,24-28,31H,7-10,12-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey KLEXDBGYSOIREE-VHZNKUSHSA-N
Mol Weight 428.7 g/mol
Molecular Formula C30H52O
Exact Mass 428.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2By0vGyYpU
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O
InChI InChI=1S/C30H52O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h11,20-22,24-28,31H,7-10,12-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey KLEXDBGYSOIREE-VHZNKUSHSA-N
Molecular Weight 428.745 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CC[C@](C(C)C)(CCC)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-056r-6312900000-634541cb8e8383e0af60
Source of Spectrum F-56-9579-1
Synonyms (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-isopropyl-1-methyl-heptyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 859468