| Name |
Dubioside C |
| Formula |
C63H98O32 |
| Mw |
1366.60412104 |
| CAS RN |
122587-97-7 |
| C_ID |
C00039052
, 
|
| InChIKey |
QGUGMRJSBZMFJI-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C63H98O32/c1-23-45(90-52-44(80)46(28(68)21-85-52)91-51-41(77)34(70)26(66)19-84-51)40(76)43(79)53(87-23)93-48-35(71)27(67)20-86-55(48)95-57(83)63-15-14-58(2,3)16-25(63)24-8-9-31-59(4)12-11-33(60(5,22-65)30(59)10-13-61(31,6)62(24,7)17-32(63)69)89-56-49(39(75)38(74)47(92-56)50(81)82)94-54-42(78)37(73)36(72)29(18-64)88-54/h8,22-23,25-49,51-56,64,66-80H,9-21H2,1-7H3,(H,81,82)/t23-,25-,26+,27-,28-,29+,30+,31+,32+,33-,34+,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,51+,52+,53+,54+,55-,56+,59+,60+,61-,62+,63+/m1/s1 |
| SMILES |
C1(CC[C@@]2([C@H](C1)C1=CC[C@@H]3[C@]([C@]1(C[C@@H]2O)C)(CC[C@H]1[C@@]3(CC[C@H]([C@]1(C=O)C)O[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)O)O)C(=O)O)C)C)C(=O)O[C@@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O[C@@H]1OC[C@H]([C@H]([C@H]1O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O)O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cucurbitaceae | Thladiantha dubia  | Ref. |
|
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