| Name |
Saniculasaponin III |
| Formula |
C54H84O23 |
| Mw |
1100.54033899 |
| CAS RN |
675830-87-2 |
| C_ID |
C00034209
, 
|
| InChIKey |
PNNWUVHLOGCVDO-RTZBWXIHNA-N |
| InChICode |
InChI=1S/C54H84O23/c1-11-23(2)45(68)76-42-43(71-24(3)57)53(22-56)26(18-48(42,4)5)25-12-13-30-50(8)16-15-32(49(6,7)29(50)14-17-51(30,9)52(25,10)19-31(53)59)73-47-40(75-46-36(63)35(62)34(61)28(20-55)72-46)38(37(64)39(74-47)44(66)67)77-54(69)41(65)33(60)27(58)21-70-54/h11-12,26-43,46-47,55-56,58-65,69H,13-22H2,1-10H3,(H,66,67)/b23-11-/t26-,27-,28+,29-,30+,31+,32-,33-,34+,35-,36+,37-,38-,39-,40+,41+,42-,43-,46-,47+,50-,51+,52+,53-,54+/m0/s1 |
| SMILES |
C1([C@H]([C@@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(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@@]1(OC[C@@H]([C@@H]([C@H]1O)O)O)O)O)C(=O)O)C)C)CO)OC(=O)C)OC(=O)/C(=C\C)/C)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Eryngium yuccifolium | Ref. |
| Plantae | Apiaceae | Sanicula elata var.chinensis Makino  | Ref. |
|
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