4-ALPHA-METHYL-5-ALPHA-ERGOSTA-8,14,24(24[1])-TRIEN-3-BETA-OL

SpectraBase Compound ID	HkgYqKQeBTo
InChI	InChI=1S/C31H48O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h14,19,21-22,25-26,29H,3,9-13,15-18H2,1-2,4-8H3/t21-,22+,25-,26+,29+,30-,31+/m1/s1
InChIKey	FOMZTSGTXHXAFX-RTPIAWABSA-N Google Search
Mol Weight	452.7 g/mol
Molecular Formula	C31H48O2
Exact Mass	452.365431 g/mol

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SpectraBase Spectrum ID	DMvZPkKbDA6
Name	4.alpha.-Methyl-5.alpha.-ergosta-8,14,24(24')-trien-3.beta.-ol acetate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H48O2
InChI	InChI=1S/C31H48O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h14,19,21-22,25-26,29H,3,9-13,15-18H2,1-2,4-8H3/t21-,22+,25-,26+,29+,30-,31+/m1/s1
InChIKey	FOMZTSGTXHXAFX-RTPIAWABSA-N
Molecular Weight	452.723 g/mol
SMILES	C=12C3=C([C@]4(CC[C@@]([C@]([C@@]4(CC3)[H])(C)[H])(OC(=O)C)[H])C)CC[C@@]2([C@]([C@@](CCC(=C)C(C)C)(C)[H])([H])CC1)C
SPLASH	splash10-0udl-9025700000-7dc6991d99d5918c2812
Source of Spectrum	KC-0-499-2
Synonyms	Acetic acid [(3S,4S,5S,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,4S,5S,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,4S,5S,10S,13R,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-4,10,13-trimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,4S,5S,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID	827455