For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1S,2R,3R)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-4.beta.,6-dihydroxy-3-hydroxymethyl-7-isopropyloxy-1,2,3,4-tetrahydro-2-naphthoic acid .gamma.-lactone
SpectraBase Compound ID E4QUM9L5FYM
InChI InChI=1S/C23H26O8/c1-10(2)31-16-8-12-13(7-15(16)24)21(25)14-9-30-23(27)20(14)19(12)11-5-17(28-3)22(26)18(6-11)29-4/h5-8,10,14,19-21,24-26H,9H2,1-4H3/t14-,19-,20-,21?/m0/s1
InChIKey GQCCKKBEQVQTGS-IUEFSSSCSA-N
Mol Weight 430.45 g/mol
Molecular Formula C23H26O8
Exact Mass 430.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Csia1OmrxkA
Name (1S,2R,3R)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-4.beta.,6-dihydroxy-3-hydroxymethyl-7-isopropyloxy-1,2,3,4-tetrahydro-2-naphthoic acid .gamma.-lactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O8
InChI InChI=1S/C23H26O8/c1-10(2)31-16-8-12-13(7-15(16)24)21(25)14-9-30-23(27)20(14)19(12)11-5-17(28-3)22(26)18(6-11)29-4/h5-8,10,14,19-21,24-26H,9H2,1-4H3/t14-,19-,20-,21?/m0/s1
InChIKey GQCCKKBEQVQTGS-IUEFSSSCSA-N
Molecular Weight 430.453 g/mol
SMILES Oc1c(cc2c(C([C@]3(COC([C@@]3([C@]2(c2cc(c(c(c2)OC)O)OC)[H])[H])=O)[H])O)c1)OC(C)C
SPLASH splash10-0f8i-0618900000-03c828ba2e6b3b6fdce9
Source of Spectrum H1-50-765-8
Synonyms (3aR,4R,9S,9aR)-4,6-Dihydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-7-isopropoxy-3a,4,9,9a-tetrahydro-3H-naphtho[2,3-c]furan-1-one (3aR,9S,9aR)-4,6-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-7-isopropoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one 1-(4-Hydroxy-3,5-dimethoxyphenyl)-4.beta.,6-dihydroxy-3-hydroxymethyl-7-isopropyloxy-1,2,3,4-tetrahydro-2-naphthoic acid .gamma.-lactone
Wiley ID 816887