| Name |
Clematibetoside A
(-)-Clematibetoside A |
| Formula |
C85H130O43 |
| Mw |
1838.79858291 |
| CAS RN |
344590-73-4 |
| C_ID |
C00032843
, 
|
| InChIKey |
IYJZBLFQBZWZBG-MOOXKOSJNA-N |
| InChICode |
InChI=1S/C85H130O43/c1-32-49(94)55(100)61(106)73(115-32)124-66-41(26-87)118-71(63(108)58(66)103)113-29-43-53(98)56(101)62(107)75(121-43)128-79(111)85-21-19-80(3,4)24-36(85)35-11-13-46-81(5)17-16-47(82(6,31-89)45(81)15-18-84(46,8)83(35,7)20-22-85)122-77-69(51(96)39(92)28-112-77)127-76-65(110)68(50(95)33(2)116-76)126-72-60(105)54(99)44(30-114-72)120-74-64(109)59(104)67(42(27-88)119-74)125-78-70(57(102)52(97)40(25-86)117-78)123-48(93)14-10-34-9-12-37(90)38(91)23-34/h9-12,14,23,32-33,36,39-47,49-78,86-92,94-110H,13,15-22,24-31H2,1-8H3/b14-10+/t32-,33-,36-,39+,40+,41+,42+,43+,44+,45+,46+,47-,49-,50-,51-,52+,53+,54+,55+,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69-,70+,71+,72-,73-,74-,75-,76-,77+,78-,81-,82-,83+,84+,85-/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]([C@]1(CO)C)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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1ccc(c(c1)O)O)CO)O)O)O)O)O)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]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Clematis tibetana KUNTZ  | Ref. |
|
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