| Name |
Hellebosaponin B |
| Formula |
C64H98O34 |
| Mw |
1410.59395028 |
| CAS RN |
606142-80-7 |
| C_ID |
C00033904
, 
|
| InChIKey |
OZOFFUZWGOCADJ-BPWRSSCMNA-N |
| InChICode |
InChI=1S/C64H98O34/c1-22-16-87-64(53(80)47(22)93-56-45(78)42(75)48(23(2)88-56)94-57-44(77)41(74)40(73)36(15-65)91-57)32(17-83-25(4)67)38-35(98-64)14-31-29-9-8-27-12-28(69)13-37(62(27,7)30(29)10-11-61(31,38)6)92-59-52(50(34(71)19-85-59)95-55-43(76)39(72)33(70)18-84-55)97-58-46(79)51(49(24(3)89-58)90-26(5)68)96-60-54(81)63(82,20-66)21-86-60/h8,23-24,28-60,65-66,69-82H,1,9-21H2,2-7H3/t23-,24+,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+,56+,57+,58+,59+,60+,61+,62+,63-,64+/m1/s1 |
| SMILES |
C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2([C@@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OCC(=C)[C@@H]([C@@H]1O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)COC(=O)C)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Helleborus caucasicus | Ref. |
|
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