Ergosta-5,24(28)-diene-3.beta.,7.alpha.-diol

SpectraBase Compound ID	2JjtNYsFFna
InChI	InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-17,19,21-26,29-30H,3,7-15H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25-,26+,27+,28-/m1/s1
InChIKey	OIBDKISTMGYAJC-JEPZXVLISA-N Google Search
Mol Weight	414.7 g/mol
Molecular Formula	C28H46O2
Exact Mass	414.349781 g/mol

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SpectraBase Spectrum ID	qFsyIM3vs
Name	Ergosta-5,24(28)-diene-3.beta.,7.alpha.-diol
Alternate Name(s)	3.beta.,7.alpha.-Dihydroxy-ergost-5,24(28)-diene (3beta,7alpha)-ergosta-5,24(28)-diene-3,7-diol (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H46O2
InChI	InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-17,19,21-26,29-30H,3,7-15H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25-,26+,27+,28-/m1/s1
InChIKey	OIBDKISTMGYAJC-JEPZXVLISA-N
Molecular Weight	414.674 g/mol
SMILES	O[C@]1(CC[C@]2(C(=C[C@]([C@]3([C@]4([C@](CC[C@]23[H])([C@](CC4)([C@@](CCC(=C)C(C)C)(C)[H])[H])C)[H])[H])(O)[H])C1)C)[H]
SPLASH	splash10-0ci3-0839000000-30a2483012408b46d621
Source of Spectrum	X2-57-627-1
Wiley ID	1605406