| Name |
Holothurin B2
(-)-Holothurin B2 |
| Formula |
C41H66O17S |
| Mw |
862.40207141 |
| CAS RN |
852469-36-4 |
| C_ID |
C00042592
, 
|
| InChIKey |
QKXKHWVDHNLJNC-OAIKWTFMNA-N |
| InChICode |
InChI=1S/C41H66O17S/c1-19(2)9-12-25(42)39(8)40(49)16-15-38(7)21-10-11-24-36(4,5)27(13-14-37(24,6)22(21)17-26(43)41(38,40)35(48)57-39)55-34-32(29(45)23(18-53-34)58-59(50,51)52)56-33-31(47)30(46)28(44)20(3)54-33/h17,19-21,23-34,42-47,49H,9-16,18H2,1-8H3,(H,50,51,52)/t20-,21-,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,37-,38+,39+,40+,41-/m1/s1 |
| SMILES |
CC(C)CCC(O)[C@]1(C)OC(=O)[C@]23[C@@H](O)C=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]2(C)CC[C@@]31O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Holothuriidae | Holothuria polii | Ref. |
|
|
zoom in
|
