| Name |
Rubupungenoside B |
| Formula |
C73H112O24 |
| Mw |
1372.75435451 |
| CAS RN |
264617-27-8 |
| C_ID |
C00047090
, 
|
| InChIKey |
HIRSVQAEURBEOW-CSCSUVQGNA-N |
| InChICode |
InChI=1S/C73H112O24/c1-34-17-23-71(60(88)96-56-49(82)48(81)46(79)40(31-74)93-56)27-26-65(6)37(52(71)69(34,10)90)14-16-43-63(4)30-39(78)55(73(33-76,58(85)86)45(63)20-22-67(43,65)8)95-59(87)68(9)44-19-21-66(7)42(62(44,3)29-38(77)54(68)84)15-13-36-53-70(11,91)35(2)18-24-72(53,28-25-64(36,66)5)61(89)97-57-50(83)51(92-12)47(80)41(32-75)94-57/h13-14,34-35,38-57,74-84,90-91H,15-33H2,1-12H3,(H,85,86)/t34-,35-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49-,50-,51+,52-,53-,54+,55-,56+,57+,62-,63-,64-,65-,66-,67-,68+,69-,70-,71+,72+,73-/m1/s1 |
| SMILES |
CO[C@@H]1[C@@H](O)[C@H](OC(=O)[C@]23CC[C@@H](C)[C@@](C)(O)[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O[C@@H]6[C@H](O)C[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@H]9[C@](C(=O)O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)(CC[C@@H](C)[C@@]9(C)O)CC[C@]78C)[C@@]6(CO)C(=O)O)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)O[C@H](CO)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Rubus pungens | Ref. |
|
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