| SpectraBase Compound ID | 9PaFQxJXoHG |
|---|---|
| InChI | InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24?,26-,29+,30-,31+/m0/s1 |
| InChIKey | OVMSOCFBDVBLFW-IAGPSASASA-N |
| Mol Weight | 586.6 g/mol |
| Molecular Formula | C31H38O11 |
| Exact Mass | 586.241412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | COiiK6I7IKy |
|---|---|
| Name | BACCATIN-III;2-ALPHA-BENZOXY-4-ALPHA,10-BETA-DIACETOXY-1-BETA,7-BETA,13-ALPHA-TRIHYDROXY-9-DEHYDROTAX-11-ENE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O11 |
| InChI | InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24?,26-,29+,30-,31+/m0/s1 |
| InChIKey | OVMSOCFBDVBLFW-IAGPSASASA-N |
| Literature Reference Author | B.MENHARD,W.EISENREICH,P.J.HYLANDS,A.BACHER,M.H.ZENK |
| Literature Reference Citation | PHYTOCHEM.,49,113(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00058-2 |
| Molecular Weight | 586.636 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6 |