SpectraBase Compound ID | 4A7BJFsG6Tq |
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InChI | InChI=1S/C30H36O4/c1-19(2)20-11-14-24-22(21(20)12-15-26(32)23-9-6-7-10-25(23)31)13-16-27-29(24,3)17-8-18-30(27,4)28(33)34-5/h6-7,9-12,14-15,19,27,31H,8,13,16-18H2,1-5H3/b15-12+/t27?,29-,30-/m1/s1 |
InChIKey | CWULOSUWDNPVFD-YTKOUXNPSA-N |
Mol Weight | 460.6 g/mol |
Molecular Formula | C30H36O4 |
Exact Mass | 460.26136 g/mol |
SpectraBase Spectrum ID | FApJIvSpuwP |
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Name | Methyl 14-[2'-(2"-hydroxybenzoyl)vinyl]-dehydroabietate |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C30H36O4 |
InChI | InChI=1S/C30H36O4/c1-19(2)20-11-14-24-22(21(20)12-15-26(32)23-9-6-7-10-25(23)31)13-16-27-29(24,3)17-8-18-30(27,4)28(33)34-5/h6-7,9-12,14-15,19,27,31H,8,13,16-18H2,1-5H3/b15-12+/t27?,29-,30-/m1/s1 |
InChIKey | CWULOSUWDNPVFD-YTKOUXNPSA-N |
Molecular Weight | 460.614 g/mol |
SMILES | Oc1c(C(\C=C\c2c3c([C@@]4(C([C@@](C(=O)OC)(C)CCC4)CC3)C)ccc2C(C)C)=O)cccc1 |
SPLASH | splash10-01bc-0403900000-2940c80398e6ebbdbdca |
Source of Spectrum | AH-139-1124-6a |
Wiley ID | 1695838 |