| 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 |
CO[C@H]1O[C@@H](C=C(C)C)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Sapindus mukorossi GAERTN  | Ref. |
|
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