| Name |
Sapimukoside I
(-)-Sapimukoside I |
| Formula |
C54H88O20 |
| Mw |
1056.58689525 |
| CAS RN |
919110-78-4 |
| C_ID |
C00031292
, 
|
| InChIKey |
TVDBDONOCYLDQG-UCHGOIEUNA-N |
| InChICode |
InChI=1S/C54H88O20/c1-23(2)19-26-20-27(46(65-10)69-26)28-13-17-54(9)30-11-12-33-51(5,6)34(15-16-52(33,7)29(30)14-18-53(28,54)8)71-50-45(44(38(60)32(21-55)70-50)73-48-41(63)39(61)35(57)24(3)67-48)74-49-42(64)43(36(58)25(4)68-49)72-47-40(62)37(59)31(56)22-66-47/h11,19,24-29,31-50,55-64H,12-18,20-22H2,1-10H3/t24-,25-,26-,27-,28-,29-,31+,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44-,45+,46-,47-,48-,49-,50-,52+,53-,54+/m0/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@@H]1C(=CC2)[C@@]2([C@@](CC1)([C@@H](CC2)[C@H]1[C@H](O[C@H](C1)C=C(C)C)OC)C)C)C)(C)C)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)C)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Sapindus mukorossi GAERTN  | Ref. |
|
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