| Name |
Durantanin I
(-)-Durantanin I |
| Formula |
C58H94O27 |
| Mw |
1222.5982478 |
| CAS RN |
243668-19-1 |
| C_ID |
C00039055
, 
|
| InChIKey |
NSIMUJYDRJYVGP-XUAWIKQZNA-N |
| InChICode |
InChI=1S/C58H94O27/c1-23-33(64)36(67)39(70)46(79-23)77-21-57(75)22-78-50(44(57)73)82-42-24(2)80-47(41(72)38(42)69)83-43-34(65)28(62)19-76-49(43)85-51(74)58-14-13-52(3,4)15-26(58)25-9-10-31-53(5)16-27(61)45(84-48-40(71)37(68)35(66)29(18-59)81-48)54(6,20-60)30(53)11-12-55(31,7)56(25,8)17-32(58)63/h9,23-24,26-50,59-73,75H,10-22H2,1-8H3/t23-,24-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38+,39+,40+,41+,42-,43+,44-,45-,46+,47-,48-,49-,50-,53-,54-,55+,56+,57+,58+/m0/s1 |
| SMILES |
[C@H]1([C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)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[C@H]1[C@@H]([C@](CO1)(CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)O)O)O)O)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Verbenaceae | Duranta repens | Ref. |
|
|
zoom in
| Organism | Duranta repens |
|---|
| Reference | Hiadate,Phytochem.,51,(1999),1223 |
|---|
|
