| Name |
Batatoside B |
| Formula |
C63H98O25 |
| Mw |
1254.63971868 |
| CAS RN |
1020196-59-1 |
| C_ID |
C00055038
|
| InChIKey |
TURCAIOTFPXWTQ-URVRKPGCSA-N |
| InChICode |
InChI=1S/C63H98O25/c1-10-12-19-27-39-28-22-16-14-13-15-17-23-29-41(65)81-54-49(73)61(87-55-46(70)44(68)34(6)76-62(55)80-39)78-36(8)51(54)86-63-57(83-40(64)24-11-2)56(88-59-47(71)45(69)43(67)33(5)75-59)52(37(9)79-63)85-60-48(72)53(50(35(7)77-60)84-58(74)32(3)4)82-42(66)31-30-38-25-20-18-21-26-38/h18,20-21,25-26,30-37,39,43-57,59-63,67-73H,10-17,19,22-24,27-29H2,1-9H3/b31-30+/t33-,34+,35-,36-,37-,39-,43-,44-,45+,46-,47+,48+,49+,50-,51-,52-,53-,54-,55+,56+,57+,59-,60-,61-,62-,63-/m0/s1 |
| SMILES |
O=C1O[C@]([H])([C@H]([C@@H](O2)C)O[C@H](O[C@H]3C)[C@@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)OC(C(C)C)=O)OC(/C=C/C5=CC=CC=C5)=O)O)O[C@@H]6O[C@H]([C@@H]([C@H]([C@H]6O)O)O)C)OC(CCC)=O)[C@@H](O)[C@]2([H])O[C@@]([C@H]([C@H]([C@H](O7)C)O)O)([H])[C@]7([H])O[C@@H](CCCCC)CCCCCCCCC1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea batatas  | Ref. |
|
|
zoom in
| Organism | Ipomoea batatas |
|---|
| Reference | Noda, N. et al., Phytochemistry, 1994, 36, 365-371
1998, 48, 837-841 (Stoloniferins) |
|---|
|
