| SpectraBase Spectrum ID |
9YxYAUaRzQN |
| Name |
2,9.10-Tri-O-deacetyltaxinine |
| Alternate Name(s) |
(2beta,3beta,5beta,8alpha,9beta,10alpha)-2,9,10-trihydroxy-13-oxotaxa-4(20),11-dien-5-yl (2E)-3-phenyl-2-propenoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H36O6 |
| InChI |
InChI=1S/C29H36O6/c1-16-20(30)15-19-25(32)24-17(2)21(35-22(31)12-11-18-9-7-6-8-10-18)13-14-29(24,5)27(34)26(33)23(16)28(19,3)4/h6-12,19,21,24-27,32-34H,2,13-15H2,1,3-5H3/b12-11+/t19-,21-,24-,25+,26+,27-,29+/m0/s1 |
| InChIKey |
OFMCNWVMMIJDPE-UMOQMHEWSA-N |
| Molecular Weight |
480.601 g/mol |
| SMILES |
O[C@@]1([C@]2(C(C([C@]([C@@]([C@]3([C@]1(C([C@](CC3)(OC(\C=C\c1ccccc1)=O)[H])=C)[H])C)(O)[H])(O)[H])=C(C(C2)=O)C)(C)C)[H])[H] |
| SPLASH |
splash10-001i-0900100000-80d52b6af027d6b6c3ad |
| Source of Spectrum |
KC-0-418-4 |
| Wiley ID |
824224 |
