| Name |
Petersaponin IV
(-)-Petersaponin IV |
| Formula |
C63H94O27 |
| Mw |
1282.5982478 |
| CAS RN |
272776-01-9 |
| C_ID |
C00047079
, 
|
| InChIKey |
COBGNNMDHXJKDA-XHIMVXLRNA-N |
| InChICode |
InChI=1S/C63H94O27/c1-11-26(2)52(78)90-50-49(89-53(79)31-13-12-20-80-31)58(4,5)21-29-28-14-15-34-60(8)18-17-36(59(6,7)33(60)16-19-61(34,9)62(28,10)22-35(66)63(29,50)25-82-55-43(73)40(70)37(67)27(3)83-55)85-57-48(88-56-44(74)41(71)39(69)32(23-64)84-56)46(45(75)47(87-57)51(76)77)86-54-42(72)38(68)30(65)24-81-54/h11-14,20,27,29-30,32-50,54-57,64-75H,15-19,21-25H2,1-10H3,(H,76,77)/b26-11+/t27-,29-,30+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-,46-,47-,48+,49-,50-,54-,55+,56-,57+,60-,61+,62+,63-/m0/s1 |
| SMILES |
[C@@H]1([C@@]2([C@H](C3=CC[C@H]4[C@]([C@@]3(C1)C)(CC[C@@H]1[C@@]4(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C(=O)O)C)C)CC([C@H]([C@@H]2OC(=O)/C(=C/C)/C)OC(=O)c1occc1)(C)C)CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lecythidaceae | Petersianthus macrocarpus  | Ref. |
|
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