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(3S,5S,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-ol

View entire compound with spectra: 1 MS (GC)

(3S,5S,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-ol
SpectraBase Compound ID 2dAx0g5YV13
InChI InChI=1S/C28H50O2/c1-18(2)8-7-9-19(3)22-10-11-23-21-17-26(29)25-16-20(30-6)12-14-28(25,5)24(21)13-15-27(22,23)4/h18-26,29H,7-17H2,1-6H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,28-/m1/s1
InChIKey VQMARVNGIWQPSL-UIDCAZIFSA-N
Mol Weight 418.7 g/mol
Molecular Formula C28H50O2
Exact Mass 418.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rabhPDhzB4
Name (3S,5S,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-ol
CAS Registry Number 85249-15-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50O2
InChI InChI=1S/C28H50O2/c1-18(2)8-7-9-19(3)22-10-11-23-21-17-26(29)25-16-20(30-6)12-14-28(25,5)24(21)13-15-27(22,23)4/h18-26,29H,7-17H2,1-6H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,28-/m1/s1
InChIKey VQMARVNGIWQPSL-UIDCAZIFSA-N
Molecular Weight 418.706 g/mol
SMILES O[C@]1(C[C@@]2([C@@]([C@@]3([C@@]1(C[C@](CC3)(OC)[H])[H])C)(CC[C@@]1([C@@]([C@@](CCCC(C)C)(C)[H])(CC[C@@]21[H])[H])C)[H])[H])[H]
SPLASH splash10-0532-9341300000-088e7a662d5a70adf2b3
Source of Spectrum H-65-2707-0
Synonyms (3S,5S,6S,8S,9S,10R,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-ol
Wiley ID 1377485