| SpectraBase Compound ID | 6KIEeotuTbO |
|---|---|
| InChI | InChI=1S/C31H40O11/c1-15-19(40-16(2)32)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,25(36)23(35)22(15)28(31,4)5)20(34)12-21-30(24,14-39-21)42-17(3)33/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 | YLAVPGTYTCSGNI-UFJLMRSISA-N |
| Mol Weight | 588.7 g/mol |
| Molecular Formula | C31H40O11 |
| Exact Mass | 588.257062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGDxI4GADnW |
|---|---|
| Name | 7,9,10-DEACETYL-BACCATIN-VI |
| Compound Number | 2 |
| 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(40-16(2)32)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,25(36)23(35)22(15)28(31,4)5)20(34)12-21-30(24,14-39-21)42-17(3)33/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 | YLAVPGTYTCSGNI-UFJLMRSISA-N |
| Literature Reference Author | H.MORITA,L.WEI,A.GONDA,K.TAKEYA,H.ITOKAWA |
| Literature Reference Citation | PHYTOCHEM.,46,583(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00308-7 |
| Molecular Weight | 588.652 g/mol |
| Sample ID | 44913 |
| Solvent | CDCl3 |