| Name |
Lobatoside I |
| Formula |
C65H102O32 |
| Mw |
1394.63542117 |
| CAS RN |
143615-80-9 |
| C_ID |
C00039635
, 
|
| InChIKey |
WDHAPEMXROWSMR-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C65H102O32/c1-24-34(70)40(76)50(96-56-46(82)48(93-54-44(80)38(74)36(72)29(20-66)89-54)47(25(2)88-56)92-53-43(79)35(71)28(69)22-86-53)57(87-24)97-59(85)65-17-15-60(3,4)19-27(65)26-9-10-32-61(5)13-12-33(62(6,23-68)31(61)11-14-64(32,8)63(26,7)16-18-65)91-58-51(42(78)41(77)49(94-58)52(83)84)95-55-45(81)39(75)37(73)30(21-67)90-55/h9,23-25,27-51,53-58,66-67,69-82H,10-22H2,1-8H3,(H,83,84)/t24-,25+,27-,28+,29-,30-,31+,32+,33+,34-,35-,36+,37-,38-,39+,40-,41+,42+,43-,44+,45-,46+,47-,48+,49-,50-,51-,53+,54-,55+,56+,57-,58+,61-,62-,63+,64-,65-/m0/s1 |
| SMILES |
C1[C@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@H]1OC[C@H]([C@@H]([C@@H]1O)O)O)C)O)O)C)C)C)C)(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 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cucurbitaceae | Actinostemma lobatum | Ref. |
|
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