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Benzoic acid, 4-hydroxy-3-methoxy-, [1,2,3,4,4a,6-hexahydro-5-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-6-oxo-1-phenanthrenyl]methyl ester, (1S-cis)-
SpectraBase Compound ID KDOa4QRRx70
InChI InChI=1S/C28H32O6/c1-16(2)19-13-17-8-10-22-27(3,11-6-12-28(22,4)23(17)25(31)24(19)30)15-34-26(32)18-7-9-20(29)21(14-18)33-5/h7-10,13-14,16,29,31H,6,11-12,15H2,1-5H3/t27-,28+/m1/s1
InChIKey UTQZRVCXAGMKIW-IZLXSDGUSA-N
Mol Weight 464.6 g/mol
Molecular Formula C28H32O6
Exact Mass 464.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9BpKHYk0Qx
Name Benzoic acid, 4-hydroxy-3-methoxy-, [1,2,3,4,4a,6-hexahydro-5-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-6-oxo-1-phenanthrenyl]methyl ester, (1S-cis)-
CAS Registry Number 66656-55-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O6
InChI InChI=1S/C28H32O6/c1-16(2)19-13-17-8-10-22-27(3,11-6-12-28(22,4)23(17)25(31)24(19)30)15-34-26(32)18-7-9-20(29)21(14-18)33-5/h7-10,13-14,16,29,31H,6,11-12,15H2,1-5H3/t27-,28+/m1/s1
InChIKey UTQZRVCXAGMKIW-IZLXSDGUSA-N
Molecular Weight 464.558 g/mol
SMILES Oc1c(cc(C(OC[C@@]2(C=3[C@@](C4=C(C(C(=CC4=CC3)C(C)C)=O)O)(CCC2)C)C)=O)cc1)OC
SPLASH splash10-0udi-0980100000-0f5cbd9fa69e9b37913e
Source of Spectrum H-61-713-0
Synonyms (4alpha)-11-hydroxy-12-oxoabieta-5,7,9(11),13-tetraen-18-yl 4-hydroxy-3-methoxybenzoate Parvifloron B Parviflorone B
Wiley ID 1391581