| Name |
Pithelucoside B
(-)-Pithelucoside B |
| Formula |
C80H128O39 |
| Mw |
1712.80327435 |
| CAS RN |
1001598-53-3 |
| C_ID |
C00040027
, 
|
| InChIKey |
XWOLPEBCTZRWEQ-WDCYODAPNA-N |
| InChICode |
InChI=1S/C80H128O39/c1-12-76(8,104)19-13-14-33(25-81)65(102)113-45-24-80(73(103)119-72-64(55(96)49(90)38(27-83)111-72)118-70-60(101)62(116-69-59(100)52(93)48(89)37(26-82)109-69)61(32(3)108-70)115-68-57(98)50(91)39(28-84)110-68)35(22-74(45,4)5)34-15-16-42-77(9)20-18-44(75(6,7)41(77)17-21-78(42,10)79(34,11)23-43(80)86)114-67-58(99)53(94)51(92)40(112-67)30-106-71-63(54(95)46(87)31(2)107-71)117-66-56(97)47(88)36(85)29-105-66/h12,14-15,31-32,35-64,66-72,81-101,104H,1,13,16-30H2,2-11H3/b33-14+/t31-,32+,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-,61+,62+,63-,64-,66+,67+,68+,69+,70+,71-,72+,76-,77+,78-,79-,80-/m1/s1 |
| SMILES |
C=C[C@@](C)(O)CC/C=C(CO)C(=O)O[C@H]1C[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Pithecellobium lucidum  | Ref. |
|
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