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

View entire compound with spectra: 1 MS (GC)

(3S,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-ol
SpectraBase Compound ID K0dpShC76ve
InChI InChI=1S/C28H48O2/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/h16,18-24,26,29H,7-15,17H2,1-6H3/t19-,20+,21+,22-,23+,24+,26+,27-,28-/m1/s1
InChIKey SIYANCUAIYPIFS-GMFJBNLUSA-N
Mol Weight 416.7 g/mol
Molecular Formula C28H48O2
Exact Mass 416.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXcHa164OVm
Name (3S,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-ol
CAS Registry Number 85198-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O2
InChI InChI=1S/C28H48O2/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/h16,18-24,26,29H,7-15,17H2,1-6H3/t19-,20+,21+,22-,23+,24+,26+,27-,28-/m1/s1
InChIKey SIYANCUAIYPIFS-GMFJBNLUSA-N
Molecular Weight 416.690 g/mol
SMILES O[C@@]1(C=2[C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])(C1)[H])[H])(CC[C@](OC)(C2)[H])C)[H]
SPLASH splash10-00l5-9108000000-bb5f63d252ff3f24d393
Source of Spectrum H-65-2706-0
Synonyms (3S,6S,8S,9S,10R,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-ol
Wiley ID 1376674