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(2R,3R)-6-butyl-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]decane-2,3,6-triol

View entire compound with spectra: 1 MS (GC)

(2R,3R)-6-butyl-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]decane-2,3,6-triol
SpectraBase Compound ID CSmK5FLmxsU
InChI InChI=1S/C33H58O4/c1-6-8-17-33(37,18-9-7-2)21-16-29(35)32(5,36)28-13-12-26-25-11-10-23-22-24(34)14-19-30(23,3)27(25)15-20-31(26,28)4/h10,24-29,34-37H,6-9,11-22H2,1-5H3/t24-,25-,26-,27-,28-,29+,30-,31-,32+/m0/s1
InChIKey OGXUTDPGLLKTRP-UFUWBZPWSA-N
Mol Weight 518.8 g/mol
Molecular Formula C33H58O4
Exact Mass 518.43351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BphNBSCJ5zB
Name (2R,3R)-6-butyl-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]decane-2,3,6-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H58O4
InChI InChI=1S/C33H58O4/c1-6-8-17-33(37,18-9-7-2)21-16-29(35)32(5,36)28-13-12-26-25-11-10-23-22-24(34)14-19-30(23,3)27(25)15-20-31(26,28)4/h10,24-29,34-37H,6-9,11-22H2,1-5H3/t24-,25-,26-,27-,28-,29+,30-,31-,32+/m0/s1
InChIKey OGXUTDPGLLKTRP-UFUWBZPWSA-N
Molecular Weight 518.823 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@]([C@@](CCC(O)(CCCC)CCCC)(O)[H])(O)C)(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-014j-0059400000-0764953104daaa6f3694
Source of Spectrum F-47-3766-6
Synonyms (2R,3R)-6-butyl-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]decane-2,3,6-triol
Wiley ID 1401781