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12,13-dibenzoyloxytotara-8,11,13-trien-7-one
SpectraBase Compound ID GxNpP5wct2M
InChI InChI=1S/C34H36O5/c1-21(2)28-29-24(34(5)18-12-17-33(3,4)27(34)20-25(29)35)19-26(38-31(36)22-13-8-6-9-14-22)30(28)39-32(37)23-15-10-7-11-16-23/h6-11,13-16,19,21,27H,12,17-18,20H2,1-5H3/t27?,34-/m1/s1
InChIKey NAPRXZJEQQNPOI-HLJBDYOOSA-N
Mol Weight 524.7 g/mol
Molecular Formula C34H36O5
Exact Mass 524.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnRClrxxKls
Name 12,13-dibenzoyloxytotara-8,11,13-trien-7-one
Alternate Name(s) 12-(benzoyloxy)-14-isopropyl-7-oxopodocarpa-8,11,13-trien-13-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H36O5
InChI InChI=1S/C34H36O5/c1-21(2)28-29-24(34(5)18-12-17-33(3,4)27(34)20-25(29)35)19-26(38-31(36)22-13-8-6-9-14-22)30(28)39-32(37)23-15-10-7-11-16-23/h6-11,13-16,19,21,27H,12,17-18,20H2,1-5H3/t27?,34-/m1/s1
InChIKey NAPRXZJEQQNPOI-HLJBDYOOSA-N
Molecular Weight 524.657 g/mol
SMILES c12c([C@]3(CCCC(C3CC2=O)(C)C)C)cc(c(c1C(C)C)OC(=O)c1ccccc1)OC(=O)c1ccccc1
SPLASH splash10-0a4i-0900300000-255011d50ea4503bd5b4
Source of Spectrum B-46-1825-0
Wiley ID 1402630