12(S)-hydroxygrapholide

SpectraBase Compound ID	CSVxizI9BSE
InChI	InChI=1S/C20H32O6/c1-11-4-5-15-19(2,7-6-16(24)20(15,3)10-21)12(11)8-13(22)17-14(23)9-26-18(17)25/h12-17,21-24H,1,4-10H2,2-3H3/t12-,13-,14-,15+,16-,17?,19+,20+/m1/s1
InChIKey	NLYQWYLWLQBMPF-BRQCOXQQSA-N Google Search
Mol Weight	368.5 g/mol
Molecular Formula	C20H32O6
Exact Mass	368.219889 g/mol

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SpectraBase Spectrum ID	FUyotTzmzrF
Name	12(S)-hydroxygrapholide
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H32O6
InChI	InChI=1S/C20H32O6/c1-11-4-5-15-19(2,7-6-16(24)20(15,3)10-21)12(11)8-13(22)17-14(23)9-26-18(17)25/h12-17,21-24H,1,4-10H2,2-3H3/t12-,13-,14-,15+,16-,17?,19+,20+/m1/s1
InChIKey	NLYQWYLWLQBMPF-BRQCOXQQSA-N
Molecular Weight	368.470 g/mol
SMILES	O[C@]1([C@]([C@@]2([C@]([C@](C[C@](C3C(OC[C@]3(O)[H])=O)(O)[H])(C(CC2)=C)[H])(CC1)C)[H])(CO)C)[H]
SPLASH	splash10-05gi-2920000000-7eaec2aa5aa9575f0cb3
Source of Spectrum	G4-69-322-5
Synonyms	2-Methylene-1-[2'-(2''-oxo-4''-hydroxy-3''-furanyl)-2'-hydroxyethyl]-5-(hydroxymethyl)-6-hydroxy-5,9-dimethyl-(perhydro)-naphthalene (4S)-3-[(1R)-2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-4-hydroxy-2-oxolanone (4S)-3-[(1R)-2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-4-hydroxyoxolan-2-one (4S)-3-[(1R)-2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]-1-hydroxy-ethyl]-4-hydroxy-tetrahydrofuran-2-one (4S)-3-[(1R)-2-[(1R,4aS,5R,6R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-oxidanyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-oxidanyl-ethyl]-4-oxidanyl-oxolan-2-one
Wiley ID	1694288