| Name |
Spiroconazole A |
| Formula |
C45H72O17 |
| Mw |
884.47695088 |
| CAS RN |
133952-03-1 |
| C_ID |
C00032184
, 
|
| InChIKey |
NLMRPYJFEJTQEC-CVPPCIIWNA-N |
| InChICode |
InChI=1S/C45H72O17/c1-19-9-14-44(55-18-19)22(4)45(54)29(62-44)16-27-25-8-7-23-15-24(10-12-42(23,5)26(25)11-13-43(27,45)6)58-41-38(61-40-36(53)34(51)31(48)21(3)57-40)37(32(49)28(17-46)59-41)60-39-35(52)33(50)30(47)20(2)56-39/h7,19-22,24-41,46-54H,8-18H2,1-6H3/t19-,20+,21+,22-,24+,25-,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44-,45-/m1/s1 |
| SMILES |
C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@]1([C@@H]([C@@]1(O2)OC[C@@H](CC1)C)C)O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Dioscoreaceae | Dioscorea bulbifera var.sativa  | Ref. |
|
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