| Name |
Cryptostigmin IV |
| Formula |
C50H78O22 |
| Mw |
1030.49847418 |
| CAS RN |
382594-38-9 |
| C_ID |
C00036960
, 
|
| InChIKey |
YVJAGEVXVGXXOQ-AIRZJPCZNA-N |
| InChICode |
InChI=1S/C50H78O22/c1-21-44(71-36-16-30(62-6)45(22(2)66-36)72-47-43(60)41(58)39(56)33(70-47)20-64-46-42(59)40(57)38(55)32(18-51)69-46)29(53)15-35(65-21)68-26-9-11-48(4)25(14-26)7-8-28-27(48)10-12-49(5)37(24-13-34(54)63-19-24)31(67-23(3)52)17-50(28,49)61/h13,21-22,25-33,35-47,51,53,55-61H,7-12,14-20H2,1-6H3/t21-,22-,25-,26+,27+,28-,29+,30-,31+,32-,33-,35+,36+,37+,38-,39-,40+,41+,42-,43-,44-,45-,46-,47+,48+,49-,50+/m1/s1 |
| SMILES |
CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@]54O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Cryptostegia grandiflora | Ref. |
|
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