| Name |
3-Acetylcalcicolin A |
| Formula |
C30H40O11 |
| Mw |
576.25706212 |
| CAS RN |
132185-54-7 |
| C_ID |
C00049083
, 
|
| InChIKey |
ZXXKLUYROCROJK-GRKUWJKYNA-N |
| InChICode |
InChI=1S/C30H40O11/c1-13-19-10-20(37-14(2)31)24-29(9)22(39-16(4)33)11-21(38-15(3)32)28(7,8)25(29)23(40-17(5)34)27(41-18(6)35)30(24,12-19)26(13)36/h19-25,27H,1,10-12H2,2-9H3/t19-,20+,21+,22+,23-,24+,25-,27+,29+,30+/m1/s1 |
| SMILES |
C1[C@@H](C([C@@H]2[C@@]([C@H]1OC(=O)C)([C@H]1[C@@]3([C@H]([C@@H]2OC(=O)C)OC(=O)C)C[C@@H](C[C@@H]1OC(=O)C)C(=C)C3=O)C)(C)C)OC(=O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Isodon gesneroides  | Ref. |
|
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