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(2S,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-prop-2-enyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol

View entire compound with spectra: 1 MS (GC)

(2S,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-prop-2-enyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol
SpectraBase Compound ID I7uPLQNYBKL
InChI InChI=1S/C30H52O2/c1-7-9-22-18-29(6)26-15-16-28(5)24(21(4)11-8-10-20(2)3)12-13-25(28)23(26)14-17-30(29,32)19-27(22)31/h7,20-27,31-32H,1,8-19H2,2-6H3/t21-,22+,23+,24-,25+,26+,27+,28-,29-,30-/m1/s1
InChIKey BGPSGPUFHSHAMM-RRUZVJRMSA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XfLBKqM4V9
Name (2S,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-prop-2-enyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol
Alternate Name(s) (2S,3S,5R,8S,9S,10R,13R,14S,17R)-2-allyl-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O2
InChI InChI=1S/C30H52O2/c1-7-9-22-18-29(6)26-15-16-28(5)24(21(4)11-8-10-20(2)3)12-13-25(28)23(26)14-17-30(29,32)19-27(22)31/h7,20-27,31-32H,1,8-19H2,2-6H3/t21-,22+,23+,24-,25+,26+,27+,28-,29-,30-/m1/s1
InChIKey BGPSGPUFHSHAMM-RRUZVJRMSA-N
Molecular Weight 444.744 g/mol
SMILES O[C@@]1([C@](C[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@@]2([C@](CC[C@@]32[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])(C1)O)C)(CC=C)[H])[H]
SPLASH splash10-01t9-0000900000-28341d5662696d65ea71
Source of Spectrum J-59-4398-12
Wiley ID 1386253