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Benzoic acid, 3,4-dihydroxy-, 1,2,3,4,4a,6-hexahydro-5-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-6 -oxo-3-phenanthrenyl ester, (3S-trans)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzoic acid, 3,4-dihydroxy-, 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 G2Fp7tqO7iG
InChI InChI=1S/C27H30O6/c1-14(2)18-10-15-7-9-21-26(3,4)12-17(13-27(21,5)22(15)24(31)23(18)30)33-25(32)16-6-8-19(28)20(29)11-16/h6-11,14,17,28-29,31H,12-13H2,1-5H3/t17-,27-/m0/s1
InChIKey ODFVSDJLTCHLCV-SOKVYYICSA-N
Mol Weight 450.53 g/mol
Molecular Formula C27H30O6
Exact Mass 450.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIS7u1FaMcS
Name Benzoic acid, 3,4-dihydroxy-, 1,2,3,4,4a,6-hexahydro-5-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-6 -oxo-3-phenanthrenyl ester, (3S-trans)-
CAS Registry Number 66656-58-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O6
InChI InChI=1S/C27H30O6/c1-14(2)18-10-15-7-9-21-26(3,4)12-17(13-27(21,5)22(15)24(31)23(18)30)33-25(32)16-6-8-19(28)20(29)11-16/h6-11,14,17,28-29,31H,12-13H2,1-5H3/t17-,27-/m0/s1
InChIKey ODFVSDJLTCHLCV-SOKVYYICSA-N
Molecular Weight 450.531 g/mol
SMILES Oc1cc(ccc1O)C(O[C@@]1(C[C@@]2(C3=C(C(=O)C(=CC3=CC=C2C(C)(C)C1)C(C)C)O)C)[H])=O
SPLASH splash10-004i-0290000000-30e89f1dbce610e347e7
Source of Spectrum H-61-714-0
Synonyms (2alpha)-11-hydroxy-12-oxoabieta-5,7,9(11),13-tetraen-2-yl 3,4-dihydroxybenzoate 3,4-Dihydroxybenzoic acid[(3S,4aS)-5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl]ester 3,4-Dihydroxybenzoic acid[(3S,4aS)-5-hydroxy-7-isopropyl-6-keto-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-3-yl]ester Parvifloron F Parviflorone F [(3S,4aS)-1,1,4a-trimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl]3,4-bis(oxidanyl)benzoate [(3S,4aS)-5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl]3,4-dihydroxybenzoate [(3S,4aS)-5-hydroxy-7-isopropyl-1,1,4a-trimethyl-6-oxo-3,4-dihydro-2H-phenanthren-3-yl]3,4-dihydroxybenzoate 3,4-Dihydroxybenzoic acid [(3S,4aS)-5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl] ester [(3S,4aS)-5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl] 3,4-dihydroxybenzoate [(3S,4aS)-5-hydroxy-7-isopropyl-1,1,4a-trimethyl-6-oxo-3,4-dihydro-2H-phenanthren-3-yl] 3,4-dihydroxybenzoate [(3S,4aS)-1,1,4a-trimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl] 3,4-bis(oxidanyl)benzoate
Wiley ID 1387798