17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYLHEXADECAHYDRO-CYCLOPENTA[a]PHENANTHRENE-3,5,6-TRIOL

SpectraBase Compound ID	HM2a0UAqxJZ
InChI	InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23+,24?,25-,26-,27?/m1/s1
InChIKey	YMMFNKXZULYSOQ-MHZASZHRSA-N Google Search
Mol Weight	420.7 g/mol
Molecular Formula	C27H48O3
Exact Mass	420.360345 g/mol

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SpectraBase Spectrum ID	CspRdoJS5Ky
Name	CHOLESTANE-3,5,6-TRIOL
Copyright	Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass	420.360345403 u
Formula	C27H48O3
InChI	InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23+,24?,25-,26-,27?/m1/s1
InChIKey	YMMFNKXZULYSOQ-MHZASZHRSA-N
Molecular Weight	420.678 g/mol
Nominal Mass	420 u
Number of Peaks	342
SMILES	OC12C(C[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]1(CCC(C2)O)C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])O
SPLASH	splash10-052f-9621000000-131c671a60aabd2e3117
Source File Reference	LMCM-80525-312Z
Synonyms	(1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-5,7,8-triol 17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHRENE-3,5,6-TRIOL
Wiley ID	8_7865