| Name |
Virgaureasaponin I |
| Formula |
C59H96O27 |
| Mw |
1236.61389786 |
| CAS RN |
112515-98-7 |
| C_ID |
C00003559
, 
|
| InChIKey |
CIWGZAMPYZZVBR-LIESCDFSNA-N |
| InChICode |
InChI=1S/C59H96O27/c1-22-33(65)36(68)40(72)49(78-22)83-45-28(63)20-77-48(43(45)75)82-44-24(3)80-50(42(74)39(44)71)84-46-38(70)34(66)23(2)79-52(46)86-53(76)59-15-14-54(4,5)16-26(59)25-10-11-31-55(6)17-27(62)47(85-51-41(73)37(69)35(67)29(19-60)81-51)56(7,21-61)30(55)12-13-57(31,8)58(25,9)18-32(59)64/h10,22-24,26-52,60-75H,11-21H2,1-9H3/t22-,23-,24-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36-,37-,38+,39-,40-,41+,42-,43-,44-,45+,46-,47-,48-,49-,50-,51+,52-,55-,56-,57+,58+,59+/m0/s1 |
| SMILES |
[C@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@H]1[C@H]([C@@H]([C@H](CO1)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)C)C)C)C)(C)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Bellis perennis  | Ref. |
| Plantae | Asteraceae | Solidago virga-aurea | Ref. |
| Plantae | Asteraceae | Solidago virgaurea | Ref. |
|
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