| Name |
Dubioside B |
| Formula |
C58H90O28 |
| Mw |
1234.5618623 |
| CAS RN |
122587-96-6 |
| C_ID |
C00039051
, 
|
| InChIKey |
JRFNUWIBJYVZOD-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C58H90O28/c1-22-42(82-47-39(71)32(64)25(61)19-77-47)38(70)41(73)48(79-22)84-44-33(65)26(62)20-78-50(44)86-52(76)58-15-14-53(2,3)16-24(58)23-8-9-29-54(4)12-11-31(55(5,21-60)28(54)10-13-56(29,6)57(23,7)17-30(58)63)81-51-45(37(69)36(68)43(83-51)46(74)75)85-49-40(72)35(67)34(66)27(18-59)80-49/h8,21-22,24-45,47-51,59,61-73H,9-20H2,1-7H3,(H,74,75)/t22-,24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35-,36+,37-,38+,39-,40+,41-,42-,43+,44-,45-,47+,48-,49+,50-,51-,54-,55+,56-,57-,58+/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)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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