| Name |
Fuscocineroside B |
| Formula |
C54H86O26S |
| Mw |
1182.51280365 |
| CAS RN |
915213-96-6 |
| C_ID |
C00041534
, 
|
| InChIKey |
MTDYWMAPINKJIX-OKCKVYMINA-N |
| InChICode |
InChI=1S/C54H86O26S/c1-22(2)10-13-31(57)53(8)30-14-17-52(7)24-11-12-29-50(4,5)33(15-16-51(29,6)25(24)18-32(58)54(30,52)49(66)79-53)75-48-44(36(61)28(21-71-48)80-81(67,68)69)78-45-38(63)37(62)41(23(3)72-45)76-47-40(65)43(35(60)27(20-56)74-47)77-46-39(64)42(70-9)34(59)26(19-55)73-46/h18,22-24,26-30,32-48,55-56,58-65H,10-17,19-21H2,1-9H3,(H,67,68,69)/t23-,24-,26-,27-,28-,29-,30-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45+,46+,47+,48+,51-,52+,53-,54+/m1/s1 |
| SMILES |
C1=C2[C@H]([C@]3([C@]4([C@H]1O)[C@H](CC3)[C@@](OC4=O)(C(=O)CCC(C)C)C)C)CC[C@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O)CO)O)CO)O)O)O)OS(=O)(=O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Holothuriidae | Bohadschia marmorata | Ref. |
| Animalia | Holothuriidae | Holothuria fuscocinerea | Ref. |
|
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