| Name |
Clematichinenoside B |
| Formula |
C70H114O35 |
| Mw |
1514.71406542 |
| CAS RN |
165245-12-5 |
| C_ID |
C00058428
|
| InChIKey |
BCFDXLPPHIQFBU-XJPDAGPNSA-N |
| InChICode |
InChI=1S/C70H114O35/c1-26-38(76)43(81)48(86)58(94-26)101-53-32(21-72)97-60(50(88)45(53)83)102-54-33(22-73)98-61(51(89)46(54)84)105-64(91)70-17-15-65(3,4)19-29(70)28-9-10-36-66(5)13-12-37(67(6,25-74)35(66)11-14-69(36,8)68(28,7)16-18-70)100-63-56(40(78)30(75)23-92-63)104-62-52(90)55(39(77)27(2)95-62)103-57-47(85)42(80)34(24-93-57)99-59-49(87)44(82)41(79)31(20-71)96-59/h9,26-27,29-63,71-90H,10-25H2,1-8H3/t26-,27-,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+,56+,57-,58-,59-,60-,61-,62-,63-,66-,67-,68+,69+,70-/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Clematis chinensis  | Ref. |
|
|
zoom in
| Organism | Clematis chinensis |
|---|
| Reference | B. Xu et al., Chem. Abs., (1996), 126,314823
B. Shao et al., Chem. Abs., (1992), 123, 79624
B. Shao et al., Chem. Abs., (1996), 125, 30048. |
|---|
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