| Name |
Petersaponin III
(-)-Petersaponin III |
| Formula |
C62H92O26 |
| Mw |
1252.58768311 |
| CAS RN |
272776-00-8 |
| C_ID |
C00047078
, 
|
| InChIKey |
XTQQXEYFRRCXGC-OSODXNMHNA-N |
| InChICode |
InChI=1S/C62H92O26/c1-26-37(67)40(70)43(73)54(81-26)80-25-62-30(21-57(3,4)49(50(62)82-27(2)64)88-52(78)28-13-11-10-12-14-28)29-15-16-34-59(7)19-18-36(58(5,6)33(59)17-20-60(34,8)61(29,9)22-35(62)66)84-56-48(87-55-44(74)41(71)39(69)32(23-63)83-55)46(45(75)47(86-56)51(76)77)85-53-42(72)38(68)31(65)24-79-53/h10-15,26,30-50,53-56,63,65-75H,16-25H2,1-9H3,(H,76,77)/t26-,30-,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-,46-,47-,48+,49-,50-,53-,54+,55-,56+,59-,60+,61+,62-/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)OC(=O)c1ccccc1)(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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