| Name |
Balanitesin |
| Formula |
C60H98O29 |
| Mw |
1282.61937717 |
| CAS RN |
212369-13-6 |
| C_ID |
C00055404
|
| InChIKey |
HPAZMTUJBDFPDN-KQDSQWJISA-N |
| InChICode |
InChI=1S/C60H98O29/c1-22(18-77-52-47(74)44(71)41(68)34(17-61)84-52)9-14-60(76)23(2)36-33(89-60)16-30-28-8-7-26-15-27(10-12-58(26,5)29(28)11-13-59(30,36)6)83-55-49(40(67)32(63)20-79-55)88-56-50(86-53-46(73)39(66)31(62)19-78-53)42(69)35(21-80-56)85-57-51(45(72)38(65)25(4)82-57)87-54-48(75)43(70)37(64)24(3)81-54/h7,22-25,27-57,61-76H,8-21H2,1-6H3/t22-,23+,24+,25+,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-,53+,54+,55+,56+,57+,58+,59+,60?/m1/s1 |
| SMILES |
O[C@@H]1CO[C@@H](O[C@@H]2CC3=CC[C@]([C@@](C[C@@]4([H])[C@]5([H])[C@H](C)C(CC[C@@H](C)CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)(O)O4)([H])[C@]5(C)CC7)([H])[C@@]7([H])[C@@]3(C)CC2)[C@H](O[C@@H]8OC[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@H](O)[C@H]8O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Zygophyllaceae | Balanites aegyptiaca  | Ref. |
|
|
zoom in
| Organism | Balanites aegyptiaca |
|---|
| Reference | Tschesche, R. et al., Chem. Ber., 1974, 107, 53-61 (Asperoside) |
|---|
|
