| Name |
Vaccegoside B |
| Formula |
C70H110O36 |
| Mw |
1526.67767991 |
| CAS RN |
55169-24-9 |
| C_ID |
C00040610
, 
|
| InChIKey |
ROTCLWPEBOMZNQ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C70H110O36/c1-25-36(76)52(101-59-48(88)43(83)51(26(2)96-59)100-57-44(84)37(77)29(74)22-93-57)50(90)62(95-25)106-64(92)70-17-15-65(3,4)19-28(70)27-9-10-34-66(5)13-12-35(67(6,24-73)33(66)11-14-69(34,8)68(27,7)16-18-70)99-63-55(104-61-47(87)42(82)40(80)32(21-72)98-61)53(102-60-46(86)41(81)39(79)31(20-71)97-60)49(89)54(103-63)56(91)105-58-45(85)38(78)30(75)23-94-58/h9,24-26,28-55,57-63,71-72,74-90H,10-23H2,1-8H3/t25-,26+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37+,38-,39-,40-,41+,42+,43-,44-,45-,46-,47-,48-,49+,50-,51-,52+,53-,54+,55+,57+,58+,59-,60+,61+,62+,63+,66-,67-,68-,69-,70-/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)O[C@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)C)O)C)C)C)(C)C=O)O[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)C(=O)O[C@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)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 | Vaccaria segetalis  | Ref. |
|
|
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