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Triterpene [3.beta.-Hydroxy-4,4-dimethyl-8.alpha.-methylcholesta-24-en-12.beta.-ol-23-one]
SpectraBase Compound ID LSlDR1YJKYO
InChI InChI=1S/C30H50O3/c1-18(2)15-20(31)16-19(3)21-9-10-23-29(7)13-11-22-27(4,5)25(32)12-14-28(22,6)24(29)17-26(33)30(21,23)8/h15,19,21-26,32-33H,9-14,16-17H2,1-8H3/t19-,21-,22?,23+,24-,25+,26-,28+,29-,30-/m1/s1
InChIKey LKHPINZKFMGDKQ-GEGXMINMSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Hicc45vwDS
Name Triterpene [3.beta.-Hydroxy-4,4-dimethyl-8.alpha.-methylcholesta-24-en-12.beta.-ol-23-one]
Alternate Name(s) (3beta,8alpha,12beta)-3,12-dihydroxy-4,4,8-trimethylcholest-24-en-23-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-18(2)15-20(31)16-19(3)21-9-10-23-29(7)13-11-22-27(4,5)25(32)12-14-28(22,6)24(29)17-26(33)30(21,23)8/h15,19,21-26,32-33H,9-14,16-17H2,1-8H3/t19-,21-,22?,23+,24-,25+,26-,28+,29-,30-/m1/s1
InChIKey LKHPINZKFMGDKQ-GEGXMINMSA-N
Molecular Weight 458.727 g/mol
SMILES O[C@]1(CC[C@@]2([C@@]3([C@@]([C@]4([C@]([C@@](C3)(O)[H])([C@](CC4)([C@@](CC(C=C(C)C)=O)(C)[H])[H])C)[H])(CCC2C1(C)C)C)[H])C)[H]
SPLASH splash10-000i-4090000000-faa56c81c4c5a60ab624
Source of Spectrum F-48-8694-2
Wiley ID 1390063