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METHYL-(13R,14S)-14-(META-CHLOROBENZYLOXY)-8-ALPHA,17-EPOXY-13-HYDROXY-LABD-11E-EN-19-OATE
SpectraBase Compound ID KyQVOQAyXnP
InChI InChI=1S/C28H37ClO6/c1-18(35-23(30)19-8-6-9-20(29)16-19)27(4,32)14-10-22-25(2)12-7-13-26(3,24(31)33-5)21(25)11-15-28(22)17-34-28/h6,8-10,14,16,18,21-22,32H,7,11-13,15,17H2,1-5H3/b14-10+/t18?,21?,22-,25+,26+,27?,28+/m1/s1
InChIKey XWUMCOPVGYHZGE-LANYWVTASA-N
Mol Weight 505.1 g/mol
Molecular Formula C28H37ClO6
Exact Mass 504.227867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Z2QvyIE7uZ
Name Methyl 14-(3'-chlorobenzoyloxy)-17,8a-epoxy-13-hydroxylabd-11E-en-19-oate
Alternate Name(s) Methyl (1R,2R,5S,8aS)-1-[(1E)-4-[(3-chlorophenyl)carbonyloxy]-3-hydroxy-3-methylpent-1-en-1-yl]-5,8a-dimethyl-octahydro-1H-spiro[naphthalene-2,2'-oxirane]-5-carboxylate
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Formula C28H37ClO6
InChI InChI=1S/C28H37ClO6/c1-18(35-23(30)19-8-6-9-20(29)16-19)27(4,32)14-10-22-25(2)12-7-13-26(3,24(31)33-5)21(25)11-15-28(22)17-34-28/h6,8-10,14,16,18,21-22,32H,7,11-13,15,17H2,1-5H3/b14-10+/t18?,21?,22-,25+,26+,27?,28+/m1/s1
InChIKey XWUMCOPVGYHZGE-LANYWVTASA-N
Molecular Weight 505.051 g/mol
SMILES OC(\C=C\[C@]1([C@]2(OC2)CCC2[C@@]1(CCC[C@@]2(C(=O)OC)C)C)[H])(C(OC(c1cc(Cl)ccc1)=O)C)C
SPLASH splash10-000l-1921000000-16a4191708c743534d0d
Source of Spectrum AC-1993-706-23
Wiley ID 811623