Name |
Craigoside B (-)-Craigoside B |
Formula |
C44H64O24 |
Mw |
976.37875298 |
CAS RN |
878760-60-2 |
C_ID |
C00034830
,
|
InChIKey |
GRSXDODWOZXZCE-LBPDHPLGNA-N |
InChICode |
InChI=1S/C44H64O24/c1-6-20-22(25(39(57)59-4)16-62-41(20)67-43-37(55)35(53)33(51)28(13-47)65-43)9-30(49)61-15-24-18(3)8-27(32(24)19(11-45)12-46)64-31(50)10-23-21(7-2)42(63-17-26(23)40(58)60-5)68-44-38(56)36(54)34(52)29(14-48)66-44/h6-7,16-19,22-24,27-29,32-38,41-48,51-56H,8-15H2,1-5H3/b20-6+,21-7+/t18-,22-,23-,24+,27-,28+,29+,32-,33+,34+,35-,36-,37+,38+,41-,42-,43-,44-/m0/s1 |
SMILES |
[C@@H]1(C[C@@H]([C@H]([C@@H]1COC(=O)C[C@@H]1C(=CO[C@H](/C/1=C/C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)OC)C(CO)CO)OC(=O)C[C@H]1/C(=C\C)/[C@@H](OC=C1C(=O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Oleaceae | Jasminum abyssinicum | Ref. |
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