| 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 |
C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)OC(=O)/C=C\c1ccc(cc1)O)O)CO)O)C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)CO)O)O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Amphoricarpos neumayeri | Ref. |
|
|
zoom in
|
