| 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 |
C1[C@]2([C@H](C([C@H](C1)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)CO)O)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]1O)O)CO)C(=O)OCCCC)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1([C@H]([C@H]([C@@]1([C@H]2CC([C@H]([C@@H]1OC(=O)[C@@H](CC)C)OC(=O)/C=C/c1ccccc1)(C)C)CO)O)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Symplocaceae | Symplocos chinensis | Ref. |
|
|
zoom in
| Organism | Symplocos chinensis |
|---|
| Reference | Tang,J.Nat.Prod.,67,(2004),1969 |
|---|
|
