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Methyl [6aR-(1a,4a,6ab,7a,10aa)]-1,4-epoxy-12-methoxy-7-methoxymethyl-7,10a-dimethyl-1,4,5,6,6a,7,8,9,10,10a-decahydrochrysene-1-carboxylate and methyl [6aR-(1a,4a,6aa,7b,10ab)]-1,4-epoxy-12-methoxy-7-methoxymethyl-7,10a-dimethyl-1,4,5,6,6a,7,8,9,10,10a-decahydrochrysene-1-carboxylate (45:55 mixture)
SpectraBase Compound ID FeJ6YahjQq3
InChI InChI=1S/C25H32O5/c1-23(14-27-3)10-6-11-24(2)16-13-18(28-4)21-20(15(16)7-8-19(23)24)17-9-12-25(21,30-17)22(26)29-5/h9,12-13,17,19H,6-8,10-11,14H2,1-5H3/t17?,19?,23-,24-,25?/m1/s1
InChIKey BWQMLIROMWDBHS-CJSDFWFHSA-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 gEAhgLbFFi
Name Methyl [6aR-(1a,4a,6ab,7a,10aa)]-1,4-epoxy-12-methoxy-7-methoxymethyl-7,10a-dimethyl-1,4,5,6,6a,7,8,9,10,10a-decahydrochrysene-1-carboxylate and methyl [6aR-(1a,4a,6aa,7b,10ab)]-1,4-epoxy-12-methoxy-7-methoxymethyl-7,10a-dimethyl-1,4,5,6,6a,7,8,9,10,10a-decahydrochrysene-1-carboxylate (45:55 mixture)
Alternate Name(s) Methyl (7S,11S)-14-methoxy-7-(methoxymethyl)-7,11-dimethyl-19-oxapentacyclo[14.2.1.0(2,15).0(3,12).0(6,11)]nonadeca-2,12,14,17-tetraene-16-carboxylate
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Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-23(14-27-3)10-6-11-24(2)16-13-18(28-4)21-20(15(16)7-8-19(23)24)17-9-12-25(21,30-17)22(26)29-5/h9,12-13,17,19H,6-8,10-11,14H2,1-5H3/t17?,19?,23-,24-,25?/m1/s1
InChIKey BWQMLIROMWDBHS-CJSDFWFHSA-N
Molecular Weight 412.526 g/mol
SMILES C12(c3c(c4CCC5[C@@](c4cc3OC)(CCC[C@@]5(COC)C)C)C(O1)C=C2)C(=O)OC
SPLASH splash10-0w29-0009300000-e1727e573fe79f5a5e41
Source of Spectrum B-47-1815-0
Wiley ID 1374550