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Benzoic acid, 4-hydroxy-, 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 H7djZYf6uEo
InChI InChI=1S/C27H30O5/c1-15(2)20-12-17-8-11-21-26(3,4)13-19(14-27(21,5)22(17)24(30)23(20)29)32-25(31)16-6-9-18(28)10-7-16/h6-12,15,19,28,30H,13-14H2,1-5H3/t19-,27-/m0/s1
InChIKey SYLIIAGUDJOQLG-PPHZAIPVSA-N
Mol Weight 434.53 g/mol
Molecular Formula C27H30O5
Exact Mass 434.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GK4bNyPiqWF
Name Benzoic acid, 4-hydroxy-, 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 66656-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O5
InChI InChI=1S/C27H30O5/c1-15(2)20-12-17-8-11-21-26(3,4)13-19(14-27(21,5)22(17)24(30)23(20)29)32-25(31)16-6-9-18(28)10-7-16/h6-12,15,19,28,30H,13-14H2,1-5H3/t19-,27-/m0/s1
InChIKey SYLIIAGUDJOQLG-PPHZAIPVSA-N
Molecular Weight 434.532 g/mol
SMILES Oc1ccc(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
SPLASH splash10-004j-0290000000-4e9c97c7efdb63b580d6
Source of Spectrum H-61-714-0
Synonyms (2alpha)-11-hydroxy-12-oxoabieta-5,7,9(11),13-tetraen-2-yl 4-hydroxybenzoate 2.alpha.,11-dihydroxyabieta-5,7,9(11),13-tetraen-12-one, 2.alpha.-O-p-hydroxybenzoate Parvifloron D Parviflorone D
Wiley ID 1383063