| Name |
3-O-Acetyl-2alpha-hydroxyamphoricarpolide |
| Formula |
C74H112O34 |
| Mw |
1544.70350073 |
| CAS RN |
824951-07-7 |
| C_ID |
C00035793
, 
|
| InChIKey |
DOFCPYWTJJFOTK-QKCYAUIJNA-N |
| InChICode |
InChI=1S/C74H112O34/c1-30-45(82)49(86)53(90)63(98-30)106-59-38(27-77)101-62(56(93)52(59)89)97-29-39-47(84)51(88)55(92)65(102-39)108-68(95)74-22-21-69(2,3)23-34(74)33-14-15-41-71(6)19-18-43(70(4,5)40(71)17-20-72(41,7)73(33,8)24-42(74)80)103-67-61(107-64-54(91)50(87)46(83)36(25-75)99-64)58(35(79)28-96-67)105-66-57(94)60(48(85)37(26-76)100-66)104-44(81)16-11-31-9-12-32(78)13-10-31/h9-14,16,30,34-43,45-67,75-80,82-94H,15,17-29H2,1-8H3/b16-11-/t30-,34-,35-,36+,37-,38-,39+,40-,41+,42+,43-,45-,46+,47+,48+,49+,50-,51-,52+,53-,54+,55+,56+,57+,58+,59+,60-,61-,62+,63-,64-,65-,66-,67-,71-,72+,73+,74+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](OC(=O)/C=Cc%10ccc(O)cc%10)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)C[C@H]5O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Amphoricarpos neumayeri | Ref. |
|
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