| Name |
Symplocososide E
(-)-Symplocososide E |
| Formula |
C65H98O23 |
| Mw |
1246.64988944 |
| CAS RN |
819855-87-3 |
| C_ID |
C00043953
, 
|
| InChIKey |
BHCRZMBVGQMTHN-SZJAWRRNNA-N |
| InChICode |
InChI=1S/C65H98O23/c1-11-13-27-80-56(79)50-48(85-57-45(73)43(71)37(30-67)82-57)47(75)49(86-58-46(74)44(72)42(70)36(29-66)81-58)59(87-50)83-40-24-25-62(8)38(61(40,6)7)23-26-63(9)39(62)21-20-34-35-28-60(4,5)53(84-41(69)22-19-33-17-15-14-16-18-33)54(88-55(78)32(3)12-2)65(35,31-68)52(77)51(76)64(34,63)10/h14-20,22,32,35-40,42-54,57-59,66-68,70-77H,11-13,21,23-31H2,1-10H3/b22-19+/t32-,35+,36-,37+,38+,39-,40+,42-,43+,44+,45-,46-,47+,48+,49-,50+,51+,52-,53+,54+,57+,58+,59-,62+,63-,64+,65+/m1/s1 |
| SMILES |
CCCCOC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)[C@@H](OC(=O)/C=C/c7ccccc7)[C@H](OC(=O)C(C)CC)[C@]6(CO)[C@H](O)[C@H](O)[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Symplocaceae | Symplocos chinensis | Ref. |
|
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