| Name |
2alpha,3alpha,19alpha,24-Tetrahydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranosyl ester
(-)-4-Epi-niga-ichigoside F1 |
| Formula |
C36H58O11 |
| Mw |
666.3979127 |
| CAS RN |
105706-14-7 |
| C_ID |
C00031544
, 
|
| InChIKey |
WKKBYJLXSKPKSC-DOHXSJLANA-N |
| InChICode |
InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,31-,32-,33-,34-,35-,36+/m1/s1 |
| SMILES |
[C@@H]1([C@@H]([C@]([C@H]2[C@@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@]1(C)O)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)CO)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Prunus serrulate var. spontanea | Ref. |
|
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