SpectraBase Compound ID | 1f4IHy114D |
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InChI | InChI=1S/C32H50O4/c1-19(2)21-9-10-23-22-11-12-25-29(6)15-14-26(36-20(3)33)28(4,5)24(29)13-16-31(25,8)30(22,7)17-18-32(21,23)27(34)35/h11,19,21,23-26H,9-10,12-18H2,1-8H3,(H,34,35)/t21-,23+,24-,25+,26+,29?,30?,31?,32+/m0/s1 |
InChIKey | BEXFSFAANNDQNF-VRTPYKCASA-N |
Mol Weight | 498.7 g/mol |
Molecular Formula | C32H50O4 |
Exact Mass | 498.37091 g/mol |
SpectraBase Spectrum ID | Fk6TySUbL8l |
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Name | ACETATE-CROTALIC-ACID |
Compound Number | 1A |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C32H50O4 |
InChI | InChI=1S/C32H50O4/c1-19(2)21-9-10-23-22-11-12-25-29(6)15-14-26(36-20(3)33)28(4,5)24(29)13-16-31(25,8)30(22,7)17-18-32(21,23)27(34)35/h11,19,21,23-26H,9-10,12-18H2,1-8H3,(H,34,35)/t21-,23+,24-,25+,26+,29?,30?,31?,32+/m0/s1 |
InChIKey | BEXFSFAANNDQNF-VRTPYKCASA-N |
Literature Reference Author | B.AHMED,T.A.AL-HOWIRINY,J.S.MOSSA |
Literature Reference Citation | PHYTOCHEM.,67,956(2006) |
Literature Reference DOI | 10.1016/j.phytochem.2006.02.019 |
Molecular Weight | 498.747 g/mol |
Sample ID | 66229 |
Solvent | CDCl3:CD3OD |