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(3R,3aR,5aS,9S,11aS,13aS,13bR)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol

View entire compound with spectra: 1 MS (GC)

(3R,3aR,5aS,9S,11aS,13aS,13bR)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
SpectraBase Compound ID ApFsgzxTM4y
InChI InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h19-20,23-25,31H,9-18H2,1-8H3/t20-,23?,24-,25+,27-,28-,29-,30+/m1/s1
InChIKey LUZUHPHTXSGDDD-SZMLYVOHSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lke39GaM3Jy
Name (3R,3aR,5aS,9S,11aS,13aS,13bR)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
Alternate Name(s) (3R,3aR,5aS,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
CAS Registry Number 4575-73-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h19-20,23-25,31H,9-18H2,1-8H3/t20-,23?,24-,25+,27-,28-,29-,30+/m1/s1
InChIKey LUZUHPHTXSGDDD-SZMLYVOHSA-N
Molecular Weight 426.729 g/mol
SMILES O[C@@]1(C(C2CCC=3[C@@]4([C@]([C@@]5(CC[C@@]([C@]5(CC4)C)(C(C)C)[H])[H])(CCC3[C@]2(CC1)C)C)C)(C)C)[H]
SPLASH splash10-08fu-0171900000-31b6507eba1bb919a316
Source of Spectrum W5-34670-30866-30866
Wiley ID 1380173