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5-Allyl-2,8-dihydroxy-1-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methylbicyclo[3.2.1]octan-3-one
SpectraBase Compound ID BMaFZkOK1Of
InChI InChI=1S/C21H26O7/c1-5-6-20-9-13(22)18(23)21(26-4,19(20)24)16(11(20)2)12-7-14(25-3)17-15(8-12)27-10-28-17/h5,7-8,11,16,18-19,23-24H,1,6,9-10H2,2-4H3/t11-,16+,18?,19?,20+,21-/m1/s1
InChIKey LZOZNNUTUVJVDZ-HNZPJYRRSA-N
Mol Weight 390.43 g/mol
Molecular Formula C21H26O7
Exact Mass 390.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pzhOt2uqvE
Name 5-Allyl-2,8-dihydroxy-1-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methylbicyclo[3.2.1]octan-3-one
CAS Registry Number 65703-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O7
InChI InChI=1S/C21H26O7/c1-5-6-20-9-13(22)18(23)21(26-4,19(20)24)16(11(20)2)12-7-14(25-3)17-15(8-12)27-10-28-17/h5,7-8,11,16,18-19,23-24H,1,6,9-10H2,2-4H3/t11-,16+,18?,19?,20+,21-/m1/s1
InChIKey LZOZNNUTUVJVDZ-HNZPJYRRSA-N
Molecular Weight 390.432 g/mol
SMILES OC1[C@]2([C@@]([C@]([C@@]1(CC(C2O)=O)CC=C)(C)[H])(c1cc2c(c(c1)OC)OCO2)[H])OC
SPLASH splash10-052f-9406000000-13a66ad078c9e5975ed5
Source of Spectrum W5-0-0-0
Synonyms 1-Allyl-4,8-dihydroxy-5-methoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-bicyclo[3.2.1]octan-3-one 4,8-Dihydroxy-5-methoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-1-prop-2-enyl-3-bicyclo[3.2.1]octanone 4,8-Dihydroxy-5-methoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-1-prop-2-enylbicyclo[3.2.1]octan-3-one 5-Methoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-4,8-bis(oxidanyl)-1-prop-2-enyl-bicyclo[3.2.1]octan-3-one Bicyclo[3.2.1]octan-3-one, 2,8-dihydroxy-1-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-(2-propenyl)-
Wiley ID 1364783