| Name |
Calcigeroside B
(-)-Calcigeroside B |
| Formula |
C54H84O27S |
| Mw |
1196.49206821 |
| CAS RN |
253678-32-9 |
| C_ID |
C00046635
, 
|
| InChIKey |
SMPNAZUHABPDNJ-VNLPMMSINA-N |
| InChICode |
InChI=1S/C54H84O27S/c1-20(2)31-26-16-53(8)24-10-11-29-51(5,6)30(13-14-52(29,7)23(24)12-15-54(31,53)50(65)75-26)76-48-43(34(59)28(19-71-48)81-82(66,67)68)80-49-44(79-46-36(61)35(60)32(57)21(3)72-46)37(62)40(22(4)73-49)77-47-39(64)42(33(58)27(17-55)74-47)78-45-38(63)41(69-9)25(56)18-70-45/h10,21-23,25-49,55-64H,1,11-19H2,2-9H3,(H,66,67,68)/t21-,22-,23-,25-,26+,27-,28-,29+,30-,31-,32-,33-,34-,35+,36-,37+,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48+,49+,52-,53+,54-/m1/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](OC1)O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C)O[C@H]1[C@@H](OC[C@H]([C@H]1O)OS(=O)(=O)O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CC=C1[C@H]2CC[C@@]23[C@]1(C[C@@H]([C@H]2C(=C)C)OC3=O)C)C)O[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)C)O)O)O)CO)O)OC)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Pentamera calcigera | Ref. |
|
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