| Name |
Acanthophylloside B |
| Formula |
C86H136O48 |
| Mw |
1936.82010621 |
| CAS RN |
57606-20-9 |
| C_ID |
C00038345
, 
|
| InChIKey |
RVIIIENFJAWAFW-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C86H136O48/c1-28-42(93)47(98)53(104)74(119-28)131-66-57(108)62(127-75-56(107)50(101)61(29(2)120-75)126-72-59(110)64(35(92)24-116-72)129-73-60(111)63(34(91)25-117-73)128-70-51(102)43(94)33(90)23-115-70)30(3)121-78(66)134-80(114)86-18-16-81(4,5)20-32(86)31-10-11-40-82(6)14-13-41(83(7,27-89)39(82)12-15-85(40,9)84(31,8)17-19-86)125-79-67(132-77-55(106)49(100)45(96)37(22-88)123-77)58(109)65(68(133-79)69(112)113)130-71-52(103)46(97)38(26-118-71)124-76-54(105)48(99)44(95)36(21-87)122-76/h10,27-30,32-68,70-79,87-88,90-111H,11-26H2,1-9H3,(H,112,113)/t28-,29-,30-,32-,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-,70-,71+,72+,73-,74-,75+,76+,77+,78+,79+,82-,83-,84+,85+,86-/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]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 |
| 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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