| Name |
Hainaneoside A |
| Formula |
C61H95NO25 |
| Mw |
1241.6193176 |
| CAS RN |
156891-23-5 |
| C_ID |
C00050113
, 
|
| InChIKey |
YJJCNFGPLJPACN-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C61H95NO25/c1-28-49(36(73-8)22-42(77-28)81-35-15-16-57(6)34(21-35)14-17-60(71)40(57)25-41(83-54(69)33-13-12-20-62-26-33)58(7)59(70,32(5)64)18-19-61(58,60)72)84-43-23-37(74-9)50(29(2)78-43)85-44-24-38(75-10)51(30(3)79-44)86-56-48(68)53(76-11)52(31(4)80-56)87-55-47(67)46(66)45(65)39(27-63)82-55/h12-14,17,20,26,28-32,34-53,55-56,63-68,70-72H,15-16,18-19,21-25,27H2,1-11H3/t28-,29-,30+,31+,32+,34+,35-,36+,37-,38+,39-,40-,41-,42+,43+,44+,45-,46-,47-,48+,49+,50+,51+,52-,53+,55+,56+,57-,58-,59+,60-,61+/m0/s1 |
| SMILES |
n1cc(ccc1)C(=O)O[C@H]1C[C@@H]2[C@]([C@@]3([C@@]1([C@](CC3)(O)[C@@H](C)O)C)O)(C=C[C@H]1[C@@]2(CC[C@@H](C1)O[C@@H]1C[C@H]([C@@H]([C@@H](O1)C)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@@H]1C[C@H]([C@@H]([C@H](O1)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)OC)O)OC)OC)OC)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp L-His Cholesterol |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Marsdenia hainanensis | Ref. |
|
|
zoom in
| Organism | Marsdenia hainanensis |
|---|
| Reference | Ma,J.Nat.Prod.,60,(1997),134 |
|---|
|
