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(3R,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,4,4,10,13-pentamethyl-2,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3R,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,4,4,10,13-pentamethyl-2,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID Fc60wtA6gI5
InChI InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)23-13-14-24-22-12-15-26-27(4,5)30(8,31)19-18-29(26,7)25(22)16-17-28(23,24)6/h12,15,20-26,31H,9-11,13-14,16-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,28-,29-,30-/m1/s1
InChIKey QCBWIHOFTMICKK-WPGLVXBBSA-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 GU9iQ0TNUo0
Name (3R,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,4,4,10,13-pentamethyl-2,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O
InChI InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)23-13-14-24-22-12-15-26-27(4,5)30(8,31)19-18-29(26,7)25(22)16-17-28(23,24)6/h12,15,20-26,31H,9-11,13-14,16-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,28-,29-,30-/m1/s1
InChIKey QCBWIHOFTMICKK-WPGLVXBBSA-N
Molecular Weight 428.745 g/mol
SMILES O[C@@]1(CC[C@]2([C@](C1(C)C)(C=C[C@]1([C@@]3(CC[C@@]([C@]3(CC[C@]21[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C)C
SPLASH splash10-052f-9300000000-4143eccbfbbd2d7cf8c1
Source of Spectrum J-61-866-17
Synonyms (3R,5R,8S,9S,10R,13R,14S,17R)-3,4,4,10,13-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1381048