| Name |
Acanthothamine
[8R-(8R*,9R*,10R*,11S*,12S*,13R*,14R*,15S*,18S*,19S*,20S*,21S*,22R*)]-13,14,21-Tris(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,18,19-decahydro-10,20,22-trihydroxy-8,18,19,20-tetramethyl-8,11-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine-5,17-dione |
| Formula |
C34H43NO16 |
| Mw |
721.25818434 |
| CAS RN |
107651-98-9 |
| C_ID |
C00013099
, 
|
| InChIKey |
XXXXUOXJKJTNHS-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C34H43NO16/c1-14-15(2)29(42)50-27-24(47-17(4)37)28(49-19(6)39)33(13-45-16(3)36)26(48-18(5)38)23(40)21-25(41)34(33,32(27,8)44)51-31(21,7)12-46-30(43)20-10-9-11-35-22(14)20/h9-11,14-15,21,23-28,40-41,44H,12-13H2,1-8H3/t14-,15-,21+,23+,24+,25-,26+,27-,28-,31-,32-,33+,34-/m0/s1 |
| SMILES |
c1ccc2c(n1)[C@H]([C@@H](C(=O)O[C@H]1[C@H]([C@@H]([C@@]3([C@@]4(O[C@](COC2=O)(C)[C@@H]([C@@H]4O)[C@H]([C@H]3OC(=O)C)O)[C@]1(O)C)COC(=O)C)OC(=O)C)OC(=O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Acanthothamnus aphyllus | Ref. |
|
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