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Methyl 12-Benzyloxy-7.alpha.-hydroxypodocarpa-8,11,13-trien-19-oate
SpectraBase Compound ID Fub41fOVStQ
InChI InChI=1S/C25H30O4/c1-24-12-7-13-25(2,23(27)28-3)22(24)15-21(26)19-11-10-18(14-20(19)24)29-16-17-8-5-4-6-9-17/h4-6,8-11,14,21-22,26H,7,12-13,15-16H2,1-3H3/t21-,22?,24-,25-/m1/s1
InChIKey JVAQHRGAYQGJEJ-RBNKSAMMSA-N
Mol Weight 394.51 g/mol
Molecular Formula C25H30O4
Exact Mass 394.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2y7SiLQmVll
Name Methyl 12-Benzyloxy-7.alpha.-hydroxypodocarpa-8,11,13-trien-19-oate
Alternate Name(s) methyl (4beta,7alpha)-12-(benzyloxy)-7-hydroxypodocarpa-8,11,13-trien-15-oate
Comments Less than 3 mono-isotopic peaks
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Formula C25H30O4
InChI InChI=1S/C25H30O4/c1-24-12-7-13-25(2,23(27)28-3)22(24)15-21(26)19-11-10-18(14-20(19)24)29-16-17-8-5-4-6-9-17/h4-6,8-11,14,21-22,26H,7,12-13,15-16H2,1-3H3/t21-,22?,24-,25-/m1/s1
InChIKey JVAQHRGAYQGJEJ-RBNKSAMMSA-N
Molecular Weight 394.511 g/mol
SMILES O[C@]1(c2c([C@@]3(C([C@@](C(=O)OC)(C)CCC3)C1)C)cc(OCc1ccccc1)cc2)[H]
SPLASH splash10-002f-9004000000-f2ef314c6009c9960a03
Source of Spectrum B-44-1571-50
Wiley ID 1366808