3-[(E)-2-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethenyl]-2H-furan-5-one

SpectraBase Compound ID	FHKTTASeADX
InChI	InChI=1S/C25H36O4/c1-23-10-8-19(26)14-18(23)5-6-21-20(23)9-11-24(2)17(7-12-25(21,24)28)4-3-16-13-22(27)29-15-16/h3-4,13,17-21,26,28H,5-12,14-15H2,1-2H3/b4-3+/t17-,18+,19-,20-,21+,23-,24+,25-/m0/s1
InChIKey	KDQZYZOKONINMK-CPEIHUPKSA-N Google Search
Mol Weight	400.6 g/mol
Molecular Formula	C25H36O4
Exact Mass	400.26136 g/mol

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SpectraBase Spectrum ID	C1VtVedMbNe
Name	3-[(E)-2-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethenyl]-2H-furan-5-one
Alternate Name(s)	3-[(E)-2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethenyl]-2H-furan-5-one 3-[(E)-2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]vinyl]-2H-furan-5-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H36O4
InChI	InChI=1S/C25H36O4/c1-23-10-8-19(26)14-18(23)5-6-21-20(23)9-11-24(2)17(7-12-25(21,24)28)4-3-16-13-22(27)29-15-16/h3-4,13,17-21,26,28H,5-12,14-15H2,1-2H3/b4-3+/t17-,18+,19-,20-,21+,23-,24+,25-/m0/s1
InChIKey	KDQZYZOKONINMK-CPEIHUPKSA-N
Molecular Weight	400.559 g/mol
SMILES	O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@@]([C@@]3(CC[C@@]2(C1)[H])[H])(CC[C@@]4(\C=C\C1=CC(=O)OC1)[H])O)C)[H])C)[H]
SPLASH	splash10-0udr-0591000000-73edab2e4c785b16f4f1
Source of Spectrum	F2-40-3488-9
Wiley ID	1599382