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2-[[17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
SpectraBase Compound ID 8hfkSTmMJyO
InChI InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21?,22?,24?,25?,26?,27?,28?,29-,30-,31+,32-,33-,34?,35?/m1/s1
InChIKey NPJICTMALKLTFW-VWFZVBIUSA-N
Mol Weight 576.9 g/mol
Molecular Formula C35H60O6
Exact Mass 576.43899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdtnBx1o7VD
Name 2-[[17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H60O6
InChI InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21?,22?,24?,25?,26?,27?,28?,29-,30-,31+,32-,33-,34?,35?/m1/s1
InChIKey NPJICTMALKLTFW-VWFZVBIUSA-N
Molecular Weight 576.859 g/mol
SMILES O[C@]1([C@@]([C@@](CO)(O[C@]([C@@]1(O)[H])(OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(CCC(C(C)C)CC)C)C)C)[H])[H])(O)[H])[H]
SPLASH splash10-0002-5729000000-ae8c0fb0719bd2a23cef
Source of Spectrum PS-0-0-34
Synonyms 2-[[17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol 2-[[17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol stigmast-5-en-3-yl hexopyranoside
Wiley ID 1408250