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Methyl 12-benzyloxy-7.alpha.-(3'-chlorobenzoyloxy)-6.alpha.-hydroxypodocarpa-8,11,13-trien-19-oate
SpectraBase Compound ID DEEHCVAFLAA
InChI InChI=1S/C32H33ClO6/c1-31-15-8-16-32(2,30(36)37-3)28(31)26(34)27(39-29(35)21-11-7-12-22(33)17-21)24-14-13-23(18-25(24)31)38-19-20-9-5-4-6-10-20/h4-7,9-14,17-18,26-28,34H,8,15-16,19H2,1-3H3/t26-,27-,28?,31+,32+/m0/s1
InChIKey FJAHCNLJEICNDX-DZNVHWCSSA-N
Mol Weight 549.1 g/mol
Molecular Formula C32H33ClO6
Exact Mass 548.196566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xEBTn38epH
Name Methyl 12-benzyloxy-7.alpha.-(3'-chlorobenzoyloxy)-6.alpha.-hydroxypodocarpa-8,11,13-trien-19-oate
Alternate Name(s) (4beta,6alpha,7alpha)-12-(benzyloxy)-6-hydroxy-15-methoxy-15-oxopodocarpa-8,11,13-trien-7-yl 3-chlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H33ClO6
InChI InChI=1S/C32H33ClO6/c1-31-15-8-16-32(2,30(36)37-3)28(31)26(34)27(39-29(35)21-11-7-12-22(33)17-21)24-14-13-23(18-25(24)31)38-19-20-9-5-4-6-10-20/h4-7,9-14,17-18,26-28,34H,8,15-16,19H2,1-3H3/t26-,27-,28?,31+,32+/m0/s1
InChIKey FJAHCNLJEICNDX-DZNVHWCSSA-N
Molecular Weight 549.063 g/mol
SMILES O[C@@]1(C2[C@@](c3c([C@@]1(OC(c1cc(Cl)ccc1)=O)[H])ccc(c3)OCc1ccccc1)(CCC[C@]2(C(=O)OC)C)C)[H]
SPLASH splash10-0006-9101000000-3de3745af8c0b2de31c3
Source of Spectrum B-44-1566-41
Wiley ID 1405498