| Name |
4'',4'''''-O-Diacetylmukurozioside IIa |
| Formula |
C55H92O30 |
| Mw |
1232.5673416 |
| CAS RN |
1801912-64-0 |
| C_ID |
C00060465
|
| InChIKey |
YJWPFVLRCSWCDD-DGXNHRIMSA-N |
| InChICode |
InChI=1S/C55H92O30/c1-21(13-11-15-23(3)20-73-55-49(85-53-43(71)39(67)45(27(7)77-53)79-29(9)59)47(35(63)31(19-57)81-55)83-51-41(69)37(65)33(61)25(5)75-51)12-10-14-22(2)16-17-72-54-48(84-52-42(70)38(66)44(26(6)76-52)78-28(8)58)46(34(62)30(18-56)80-54)82-50-40(68)36(64)32(60)24(4)74-50/h12,16,23-27,30-57,60-71H,10-11,13-15,17-20H2,1-9H3/b21-12+,22-16+/t23-,24-,25-,26-,27-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,48+,49+,50-,51-,52-,53-,54+,55+/m0/s1 |
| SMILES |
CC(=O)OC1C(C)OC(OC2C(OCC=C(C)CCC=C(C)CCCC(C)COC3OC(CO)C(O)C(OC4OC(C)C(O)C(O)C4O)C3OC3OC(C)C(OC(C)=O)C(O)C3O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Sapindus mukorossi  | Ref. |
|
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