| Name |
25-Hydroxyfuscocineroside B |
| Formula |
C54H86O27S |
| Mw |
1198.50771828 |
| CAS RN |
1082071-34-8 |
| C_ID |
C00048589
, 
|
| InChIKey |
ZDSFYSUHSQKOMC-XTKBAISPNA-N |
| InChICode |
InChI=1S/C54H86O27S/c1-22-40(77-46-39(65)42(34(60)26(20-56)75-46)78-45-38(64)41(71-9)33(59)25(19-55)74-45)36(62)37(63)44(73-22)79-43-35(61)27(81-82(68,69)70)21-72-47(43)76-32-14-16-51(6)24-18-31(58)54-29(53(8,80-48(54)66)30(57)13-15-49(2,3)67)12-17-52(54,7)23(24)10-11-28(51)50(32,4)5/h18,22-23,25-29,31-47,55-56,58-65,67H,10-17,19-21H2,1-9H3,(H,68,69,70)/t22-,23-,25-,26-,27-,28+,29-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41+,42+,43-,44+,45+,46+,47+,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)O)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. |
|
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