SpectraBase Compound ID | 2jd3FYOk3UZ |
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InChI | InChI=1S/C31H40O11/c1-15-19(34)13-30(28(4,5)38)22(15)23(36)25(41-27(37)18-10-8-7-9-11-18)29(6)20(35)12-21-31(14-39-21,42-17(3)33)24(29)26(30)40-16(2)32/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31-/m0/s1 |
InChIKey | IEMBQVLDTQOXFV-LPRGFTSCSA-N |
Mol Weight | 588.7 g/mol |
Molecular Formula | C31H40O11 |
Exact Mass | 588.257062 g/mol |
SpectraBase Spectrum ID | LlmqRY6W3Dx |
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Name | TAXUMAIROL-K |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C31H40O11 |
InChI | InChI=1S/C31H40O11/c1-15-19(34)13-30(28(4,5)38)22(15)23(36)25(41-27(37)18-10-8-7-9-11-18)29(6)20(35)12-21-31(14-39-21,42-17(3)33)24(29)26(30)40-16(2)32/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31-/m0/s1 |
InChIKey | IEMBQVLDTQOXFV-LPRGFTSCSA-N |
Literature Reference Author | Y.C.SHEN,C.Y.CHEN,Y.H.KUO |
Literature Reference Citation | J.NAT.PROD.,61,838(1998) |
Literature Reference DOI | 10.1021/np970573y |
Molecular Weight | 588.652 g/mol |
Solvent | CDCl3 |
Source File Reference | UWKP189 |