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5,6-Secocholestane-1,3,6-triol, (1.beta.,3.alpha.,10.alpha.)-
SpectraBase Compound ID Bx2kZgje3IH
InChI InChI=1S/C27H50O3/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h18-25,28-30H,6-17H2,1-5H3
InChIKey WRCUGMGXSAAMEP-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C27H50O3
Exact Mass 422.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HY8iMqXo5wa
Name 5,6-Secocholestane-1,3,6-triol, (1.beta.,3.alpha.,10.alpha.)-
CAS Registry Number 20104-87-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H50O3
InChI InChI=1S/C27H50O3/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h18-25,28-30H,6-17H2,1-5H3
InChIKey WRCUGMGXSAAMEP-UHFFFAOYSA-N
Molecular Weight 422.694 g/mol
SMILES OCCC1C2C(CCC1C1(C(CC(CC1)O)O)C)(C(CC2)C(CCCC(C)C)C)C
SPLASH splash10-0f6y-0119000000-75926c653b9f34ff2dce
Source of Spectrum C-105-1978-0
Synonyms 1,3-Cyclohexanediol, 4-[1-(1,5-dimethylhexyl)hexahydro-4-(2-hydroxyethyl)-7a-methyl-5-inda nyl]-4-methyl- 4-[1-(1,5-dimethylhexyl)-4-(2-hydroxyethyl)-7a-methyloctahydro-1H-inden-5-yl]-4-methyl-1,3-cyclohexanediol 5,6-seco-5.beta.-cholestane-3.beta.,5,6-triol 5.beta.-5,6-secochlestane-3.beta.,5.alpha.,6-triol
Wiley ID 1378783