| 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 |
C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H]([C@H](C2)OC(=O)C)C1=CC(=O)OC1)C)O)C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Cryptostegia grandiflora | Ref. |
|
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