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(2R,3R)-2-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-decane-2,3,6-triol

View entire compound with spectra: 1 MS (GC)

(2R,3R)-2-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-decane-2,3,6-triol
SpectraBase Compound ID I32ZA5cEeu0
InChI InChI=1S/C30H52O4/c1-6-7-15-27(2,33)16-14-26(32)30(5,34)25-11-10-23-22-9-8-20-19-21(31)12-17-28(20,3)24(22)13-18-29(23,25)4/h8,21-26,31-34H,6-7,9-19H2,1-5H3/t21-,22-,23-,24-,25-,26+,27?,28-,29-,30+/m0/s1
InChIKey HQYWUZAVLDFDLR-XSEAVVPDSA-N
Mol Weight 476.7 g/mol
Molecular Formula C30H52O4
Exact Mass 476.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44OLEXSITWt
Name (2R,3R)-2-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-decane-2,3,6-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O4
InChI InChI=1S/C30H52O4/c1-6-7-15-27(2,33)16-14-26(32)30(5,34)25-11-10-23-22-9-8-20-19-21(31)12-17-28(20,3)24(22)13-18-29(23,25)4/h8,21-26,31-34H,6-7,9-19H2,1-5H3/t21-,22-,23-,24-,25-,26+,27?,28-,29-,30+/m0/s1
InChIKey HQYWUZAVLDFDLR-XSEAVVPDSA-N
Molecular Weight 476.742 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@]([C@@](CCC(O)(CCCC)C)(O)[H])(O)C)(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-014j-0049100000-677351bd843ec7c8b7fa
Source of Spectrum F-47-3764-6
Synonyms (2R,3R)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-decane-2,3,6-triol
Wiley ID 1394434