| Name |
Scabiosaponin C
(-)-Scabiosaponin C |
| Formula |
C70H114O35 |
| Mw |
1514.71406542 |
| CAS RN |
689257-58-7 |
| C_ID |
C00043897
, 
|
| InChIKey |
UXJRCJIXBOHUFH-GNHRNLHGNA-N |
| InChICode |
InChI=1S/C70H114O35/c1-26-38(74)55(103-58-49(85)43(79)33(24-93-58)99-59-51(87)46(82)40(76)30(21-72)97-59)54(90)62(95-26)104-56-44(80)34(101-60-52(88)47(83)41(77)31(22-73)98-60)25-94-63(56)102-37-12-13-67(6)35(66(37,4)5)11-14-69(8)36(67)10-9-27-28-19-65(2,3)15-17-70(28,18-16-68(27,69)7)64(91)105-61-53(89)48(84)42(78)32(100-61)23-92-57-50(86)45(81)39(75)29(20-71)96-57/h9,26,28-63,71-90H,10-25H2,1-8H3/t26-,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-,67-,68+,69+,70-/m0/s1 |
| SMILES |
C1[C@]2([C@H](C([C@H](C1)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[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[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(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)O)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Dipsacaceae/Diervillaceae/Linnaeaceae/Valerianaceae | Scabiosa tschiliensis | Ref. |
|
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