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2-Butenoic acid, 3-methyl-, [1,2,3,4,4a,6-hexahydro-3,5-dihydroxy-1,4a-dimethyl-7-(1-methylethyl) -6-oxo-1-phenanthrenyl]methyl ester, [1S-(1.alpha.,3.beta.,4a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

2-Butenoic acid, 3-methyl-, [1,2,3,4,4a,6-hexahydro-3,5-dihydroxy-1,4a-dimethyl-7-(1-methylethyl) -6-oxo-1-phenanthrenyl]methyl ester, [1S-(1.alpha.,3.beta.,4a.alpha.)]-
SpectraBase Compound ID LEOBNgiWobe
InChI InChI=1S/C25H32O5/c1-14(2)9-20(27)30-13-24(5)11-17(26)12-25(6)19(24)8-7-16-10-18(15(3)4)22(28)23(29)21(16)25/h7-10,15,17,26,29H,11-13H2,1-6H3/t17-,24-,25-/m1/s1
InChIKey APPJPEJTKDRCAB-LJXNEXSDSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WHPPUCZuZq
Name 2-Butenoic acid, 3-methyl-, [1,2,3,4,4a,6-hexahydro-3,5-dihydroxy-1,4a-dimethyl-7-(1-methylethyl) -6-oxo-1-phenanthrenyl]methyl ester, [1S-(1.alpha.,3.beta.,4a.alpha.)]-
Alternate Name(s) (2beta,4alpha,10alpha)-2,11-dihydroxy-12-oxoabieta-5,7,9(11),13-tetraen-18-yl 3-methyl-2-butenoate Parviflorone H
CAS Registry Number 93800-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-14(2)9-20(27)30-13-24(5)11-17(26)12-25(6)19(24)8-7-16-10-18(15(3)4)22(28)23(29)21(16)25/h7-10,15,17,26,29H,11-13H2,1-6H3/t17-,24-,25-/m1/s1
InChIKey APPJPEJTKDRCAB-LJXNEXSDSA-N
Molecular Weight 412.526 g/mol
SMILES O[C@@]1(C[C@@](C=2[C@](C3=C(C(C(=CC3=CC2)C(C)C)=O)O)(C1)C)(COC(C=C(C)C)=O)C)[H]
SPLASH splash10-053r-9041000000-668334c6387dc99e04a3
Source of Spectrum H-67-1534-0
Wiley ID 1374545