| Name |
Acanthophylloside C |
| Formula |
C92H146O53 |
| Mw |
2098.87292964 |
| CAS RN |
57579-58-5 |
| C_ID |
C00038346
, 
|
| InChIKey |
DMFZWPGLOKFXKC-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C92H146O53/c1-29-44(100)50(106)57(113)79(128-29)141-71-62(118)67(137-80-61(117)54(110)66(30(2)129-80)136-77-64(120)69(36(99)25-125-77)139-78-65(121)68(35(98)26-126-78)138-75-55(111)45(101)34(97)24-124-75)31(3)130-84(71)145-86(123)92-18-16-87(4,5)20-33(92)32-10-11-42-88(6)14-13-43(89(7,28-96)41(88)12-15-91(42,9)90(32,8)17-19-92)135-85-72(142-82-59(115)52(108)47(103)38(22-94)132-82)63(119)70(73(143-85)74(122)144-83-60(116)53(109)48(104)39(23-95)133-83)140-76-56(112)49(105)40(27-127-76)134-81-58(114)51(107)46(102)37(21-93)131-81/h10,28-31,33-73,75-85,93-95,97-121H,11-27H2,1-9H3/t29-,30-,31-,33-,34+,35+,36-,37-,38+,39-,40+,41+,42+,43-,44-,45+,46-,47+,48+,49+,50-,51+,52-,53+,54-,55+,56+,57+,58+,59-,60+,61+,62+,63+,64+,65+,66+,67-,68+,69-,70-,71-,72-,73-,75-,76+,77+,78+,79-,80-,81+,82+,83-,84-,85-,88+,89-,90+,91-,92-/m1/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]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O)O)O)O)O)O)O)O)O[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)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@H]1[C@H]([C@H]([C@H](CO1)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)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 | Caryophyllaceae | Acanthophyllum gypsophiloides | Ref. |
| Plantae | Caryophyllaceae | Acanthophyllum gypsophiloydes | Ref. |
|
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