| SpectraBase Compound ID | Dst63qMnTPI |
|---|---|
| InChI | InChI=1S/C37H46O11/c1-20-27-18-37(43)19-29(44-22(3)38)21(2)32(35(37,7)8)33(46-24(5)40)34(47-25(6)41)36(27,9)30(45-23(4)39)17-28(20)48-31(42)16-15-26-13-11-10-12-14-26/h10-16,27-30,33-34,43H,1,17-19H2,2-9H3/b16-15+/t27-,28+,29+,30+,33-,34+,36+,37+/m1/s1 |
| InChIKey | JXEOWCLOUFWNAU-NRHDFMLESA-N |
| Mol Weight | 666.8 g/mol |
| Molecular Formula | C37H46O11 |
| Exact Mass | 666.304012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eh1oFiAXQcD |
|---|---|
| Name | 1-BETA-HYDROXY-2-DEACETOXYTAXININE-J |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H46O11 |
| InChI | InChI=1S/C37H46O11/c1-20-27-18-37(43)19-29(44-22(3)38)21(2)32(35(37,7)8)33(46-24(5)40)34(47-25(6)41)36(27,9)30(45-23(4)39)17-28(20)48-31(42)16-15-26-13-11-10-12-14-26/h10-16,27-30,33-34,43H,1,17-19H2,2-9H3/b16-15+/t27-,28+,29+,30+,33-,34+,36+,37+/m1/s1 |
| InChIKey | JXEOWCLOUFWNAU-NRHDFMLESA-N |
| Literature Reference Author | D.A.SUN,F.SAURIOL,O.MAMER,L.O.ZAMIR |
| Literature Reference Citation | CAN.J.CHEM.,79,1381(2001) |
| Literature Reference DOI | 10.1139/cjc-79-9-1381 |
| Molecular Weight | 666.766 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16200 |