| Name |
Symplocososide C
(-)-Symplocososide C
Symplocososide Sc1 |
| Formula |
C66H106O23 |
| Mw |
1266.71248969 |
| CAS RN |
819855-83-9 |
| C_ID |
C00043951
, 
|
| InChIKey |
NRJDYTBXPQINHA-QAKLENIQNA-N |
| InChICode |
InChI=1S/C66H106O23/c1-14-16-26-81-57(80)51-49(86-58-46(74)44(72)38(30-68)83-58)48(76)50(87-59-47(75)45(73)43(71)37(29-67)82-59)60(88-51)84-41-23-24-63(11)39(62(41,9)10)22-25-64(12)40(63)21-20-35-36-28-61(7,8)54(85-42(70)27-33(5)19-17-18-32(3)4)55(89-56(79)34(6)15-2)66(36,31-69)53(78)52(77)65(35,64)13/h18,20,27,34,36-41,43-55,58-60,67-69,71-78H,14-17,19,21-26,28-31H2,1-13H3/b33-27-/t34-,36+,37-,38+,39-,40-,41+,43-,44+,45+,46-,47-,48+,49+,50-,51+,52+,53-,54+,55+,58+,59+,60-,63+,64-,65+,66+/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(\CCC=C(C)C)/C)(C)C)CO)O)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Symplocaceae | Symplocos chinensis | Ref. |
|
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