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(3S,4S)-3-hydroxy-4-piperonyl-3-veratryl-tetrahydrofuran-2-one
SpectraBase Compound ID 9mFYmi5WmdW
InChI InChI=1S/C21H22O7/c1-24-16-5-4-14(9-18(16)25-2)10-21(23)15(11-26-20(21)22)7-13-3-6-17-19(8-13)28-12-27-17/h3-6,8-9,15,23H,7,10-12H2,1-2H3/t15-,21-/m0/s1
InChIKey XQAPIFWFLMEZDZ-BTYIYWSLSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMWvSPTZwqR
Name (3S,4S)-3-hydroxy-4-piperonyl-3-veratryl-tetrahydrofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-24-16-5-4-14(9-18(16)25-2)10-21(23)15(11-26-20(21)22)7-13-3-6-17-19(8-13)28-12-27-17/h3-6,8-9,15,23H,7,10-12H2,1-2H3/t15-,21-/m0/s1
InChIKey XQAPIFWFLMEZDZ-BTYIYWSLSA-N
Molecular Weight 386.400 g/mol
SMILES O[C@@]1(C(OC[C@@]1(Cc1cc2OCOc2cc1)[H])=O)Cc1cc(OC)c(cc1)OC
SPLASH splash10-0udr-0902000000-5db62209a61048e89726
Source of Spectrum X2-56-1180-6
Synonyms (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-2-oxolanone (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-tetrahydrofuran-2-one (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-3-hydroxyoxolan-2-one (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-3-oxidanyl-oxolan-2-one
Wiley ID 1604988