| Name |
Cernuoside A
(-)-Cernuoside A |
| Formula |
C71H116O35 |
| Mw |
1528.72971548 |
| CAS RN |
260046-53-5 |
| C_ID |
C00046660
, 
|
| InChIKey |
MGKHSBUGNYQRRH-YRGRQIDVNA-N |
| InChICode |
InChI=1S/C71H116O35/c1-26-38(75)44(81)49(86)59(95-26)103-55-32(23-74)99-58(53(90)48(55)85)93-24-33-42(79)47(84)52(89)62(100-33)106-65(92)71-18-16-66(3,4)20-29(71)28-10-11-36-68(7)14-13-37(67(5,6)35(68)12-15-70(36,9)69(28,8)17-19-71)102-64-57(43(80)34(25-94-64)101-60-50(87)45(82)40(77)30(21-72)97-60)105-63-54(91)56(39(76)27(2)96-63)104-61-51(88)46(83)41(78)31(22-73)98-61/h10,26-27,29-64,72-91H,11-25H2,1-9H3/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-,64-,68-,69+,70+,71-/m0/s1 |
| SMILES |
C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Pulsatilla cernua  | Ref. |
|
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