| Name |
Calotropin |
| Formula |
C29H40O9 |
| Mw |
532.26723288 |
| CAS RN |
1986-70-5 |
| C_ID |
C00003609
, 
|
| InChIKey |
OWPWFVVPBYFKBG-KUFKLLIRNA-N |
| InChICode |
InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1 |
| SMILES |
[C@H]12[C@@H](C[C@H]3[C@](C1)([C@@H]1[C@@H](CC3)[C@@]3([C@](CC1)([C@H](CC3)C1=CC(=O)OC1)C)O)C=O)O[C@H]1[C@@](O2)([C@H](C[C@H](O1)C)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Asclepias curassavica L.  | Ref. |
| Plantae | Apocynaceae | Calotropis gigantea | Ref. |
| Plantae | Apocynaceae | Calotropis procera | Ref. |
|
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