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Benzoic acid, 4-hydroxy-3-methoxy-, 1,2,3,4,4a,6-hexahydro-5-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-6 -oxo-3-phenanthrenyl ester, (3S-trans)-
SpectraBase Compound ID Elr6isNXrxQ
InChI InChI=1S/C28H32O6/c1-15(2)19-11-16-8-10-22-27(3,4)13-18(14-28(22,5)23(16)25(31)24(19)30)34-26(32)17-7-9-20(29)21(12-17)33-6/h7-12,15,18,29,31H,13-14H2,1-6H3/t18-,28-/m0/s1
InChIKey SZZZSXSDRALLHH-JMQGSBJISA-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 1NOLMRpP1hR
Name Benzoic acid, 4-hydroxy-3-methoxy-, 1,2,3,4,4a,6-hexahydro-5-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-6 -oxo-3-phenanthrenyl ester, (3S-trans)-
Alternate Name(s) (2alpha)-11-hydroxy-12-oxoabieta-5,7,9(11),13-tetraen-2-yl 4-hydroxy-3-methoxybenzoate Parvifloron G Parviflorone G
CAS Registry Number 93800-57-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O6
InChI InChI=1S/C28H32O6/c1-15(2)19-11-16-8-10-22-27(3,4)13-18(14-28(22,5)23(16)25(31)24(19)30)34-26(32)17-7-9-20(29)21(12-17)33-6/h7-12,15,18,29,31H,13-14H2,1-6H3/t18-,28-/m0/s1
InChIKey SZZZSXSDRALLHH-JMQGSBJISA-N
Molecular Weight 464.558 g/mol
SMILES Oc1c(cc(C(O[C@]2(CC(C=3[C@@](C4=C(C(C(=CC4=CC3)C(C)C)=O)O)(C2)C)(C)C)[H])=O)cc1)OC
SPLASH splash10-004i-1490000000-eafebf7ed5890c00a635
Source of Spectrum H-67-1533-0
Wiley ID 1391582