| Name |
Rubupungenoside A |
| Formula |
C73H112O24 |
| Mw |
1372.75435451 |
| CAS RN |
264617-26-7 |
| C_ID |
C00047089
, 
|
| InChIKey |
WKCMNAILLITFOY-FILOVFFPNA-N |
| InChICode |
InChI=1S/C73H112O24/c1-34-17-23-71(60(88)96-56-50(82)48(80)46(78)40(31-74)93-56)28-26-65(6)37(53(71)70(34,11)91)14-16-43-63(4)30-39(77)55(73(33-75,58(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(76)54(68)84)15-13-36-52-69(10,90)35(2)18-24-72(52,27-25-64(36,66)5)61(89)97-57-51(83)49(81)47(79)41(94-57)32-92-12/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 |
C1C[C@]2([C@@H]([C@@]([C@@H]1C)(O)C)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@]3(C[C@H]([C@H]([C@]1(CO)C(=O)O)OC(=O)[C@@]1([C@H]([C@@H](C[C@@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2[C@]([C@@H](CC1)C)(C)O)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC)C)C)C)O)O)C)O)C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Rubus pungens | Ref. |
|
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