3-BETA-HYDROXYERGOSTA-5,24(28)-DIEN-16-ONE

SpectraBase Compound ID	6PXj0kyiRdB
InChI	InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)26-25(30)16-24-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h9,17,19,21-24,26,29H,3,7-8,10-16H2,1-2,4-6H3/t19-,21+,22-,23+,24+,26+,27+,28+/m1/s1
InChIKey	KJJMHRHVXJHQBU-BWPITKIYSA-N Google Search
Mol Weight	412.7 g/mol
Molecular Formula	C28H44O2
Exact Mass	412.334131 g/mol

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SpectraBase Spectrum ID	2JVH5YuJPia
Name	(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Alternate Name(s)	(3S,8S,9S,10R,13S,14S,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one (3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one (3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one (3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(1R)-4-isopropyl-1-methyl-pent-4-enyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H44O2
InChI	InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)26-25(30)16-24-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h9,17,19,21-24,26,29H,3,7-8,10-16H2,1-2,4-6H3/t19-,21+,22-,23+,24+,26+,27+,28+/m1/s1
InChIKey	KJJMHRHVXJHQBU-BWPITKIYSA-N
Molecular Weight	412.658 g/mol
SMILES	O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC([C@@]4([C@@](CCC(=C)C(C)C)(C)[H])[H])=O)[H])C)[H])C)[H]
SPLASH	splash10-00xr-2936000000-5d7f10fd638adb1a2c12
Source of Spectrum	B-51-1163-9
Wiley ID	746043