| Name |
9-Dihydro-13-acetylbaccatin III |
| Formula |
C33H42O12 |
| Mw |
630.26762681 |
| CAS RN |
142203-65-4 |
| C_ID |
C00040856
, 
|
| InChIKey |
WPPPFZJNKLMYBW-KEBGICFENA-N |
| InChICode |
InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1 |
| SMILES |
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Taxaceae | Taxus brevifolia  | Ref. |
| Plantae | Taxaceae | Taxus canadensis | Ref. |
| Plantae | Taxaceae | Taxus chinensis | Ref. |
| Plantae | Taxaceae | Taxus media | Ref. |
| Plantae | Taxaceae | Taxus yunnanensis | Ref. |
|
|
zoom in
| Organism | Taxus media |
|---|
| Reference | Singh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA. |
|---|
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