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(7R,8R,9S,13S,14S,16S,17R)-3-(methoxymethoxy)-13-methyl-7-(9-oxidanylnonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol

View entire compound with spectra: 1 MS (GC)

(7R,8R,9S,13S,14S,16S,17R)-3-(methoxymethoxy)-13-methyl-7-(9-oxidanylnonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
SpectraBase Compound ID EGtPIloxo1N
InChI InChI=1S/C29H46O5/c1-29-14-13-24-23-12-11-22(34-19-33-2)17-21(23)16-20(10-8-6-4-3-5-7-9-15-30)27(24)25(29)18-26(31)28(29)32/h11-12,17,20,24-28,30-32H,3-10,13-16,18-19H2,1-2H3/t20-,24-,25+,26+,27-,28+,29+/m1/s1
InChIKey WBKOTIURVUZQJK-ZRVXERAKSA-N
Mol Weight 474.7 g/mol
Molecular Formula C29H46O5
Exact Mass 474.334525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnuCJFSAK5K
Name (7R,8R,9S,13S,14S,16S,17R)-3-(methoxymethoxy)-13-methyl-7-(9-oxidanylnonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O5
InChI InChI=1S/C29H46O5/c1-29-14-13-24-23-12-11-22(34-19-33-2)17-21(23)16-20(10-8-6-4-3-5-7-9-15-30)27(24)25(29)18-26(31)28(29)32/h11-12,17,20,24-28,30-32H,3-10,13-16,18-19H2,1-2H3/t20-,24-,25+,26+,27-,28+,29+/m1/s1
InChIKey WBKOTIURVUZQJK-ZRVXERAKSA-N
Molecular Weight 474.682 g/mol
SMILES OCCCCCCCCC[C@]1([C@]2([C@]3([C@@]([C@]([C@](C3)(O)[H])(O)[H])(CC[C@@]2(c2c(C1)cc(cc2)OCOC)[H])C)[H])[H])[H]
SPLASH splash10-0006-0000900000-12aa048fd9c051497c50
Source of Spectrum K-2002-2278-11
Synonyms (7R,8R,9S,13S,14S,16S,17R)-7-(9-hydroxynonyl)-3-(methoxymethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
Wiley ID 1613184