| Name |
17-Hydroxyfuscocineroside B |
| Formula |
C54H86O27S |
| Mw |
1198.50771828 |
| CAS RN |
1033617-26-3 |
| C_ID |
C00048579
, 
|
| InChIKey |
NIHZVVRTVXYJPQ-NXNZQULUNA-N |
| InChICode |
InChI=1S/C54H86O27S/c1-22(2)10-13-30(57)52(8)53(67)17-16-51(7)24-11-12-29-49(4,5)32(14-15-50(29,6)25(24)18-31(58)54(51,53)48(66)80-52)76-47-43(35(61)28(21-72-47)81-82(68,69)70)79-44-37(63)36(62)40(23(3)73-44)77-46-39(65)42(34(60)27(20-56)75-46)78-45-38(64)41(71-9)33(59)26(19-55)74-45/h18,22-24,26-29,31-47,55-56,58-65,67H,10-17,19-21H2,1-9H3,(H,68,69,70)/t23-,24-,26-,27-,28+,29+,31+,32+,33-,34-,35+,36-,37-,38-,39-,40-,41+,42+,43-,44+,45+,46+,47+,50-,51+,52+,53+,54-/m1/s1 |
| SMILES |
C1=C2[C@H]([C@]3([C@]4([C@H]1O)[C@](CC3)([C@@](OC4=O)(C(=O)CCC(C)C)C)O)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. |
|
|
zoom in
| Organism | Bohadschia marmorata |
|---|
| Reference | Blunt,Nat.Prod.Rep.,27,(2010),165 |
|---|
|
