| Name |
Holothurin B3
(-)-Holothurin B3 |
| Formula |
C41H64O16S |
| Mw |
844.39150673 |
| CAS RN |
852469-37-5 |
| C_ID |
C00042593
, 
|
| InChIKey |
VSHFFKMQPABHAM-WZWBSVHPNA-N |
| InChICode |
InChI=1S/C41H64O16S/c1-19-28(43)30(45)31(46)33(52-19)54-32-29(44)22(57-58(48,49)50)18-51-34(32)53-26-13-15-38(6)21-17-25(42)41-24(40(8,56-35(41)47)27-12-14-36(2,3)55-27)11-16-39(41,7)20(21)9-10-23(38)37(26,4)5/h17,19-20,22-34,42-46H,9-16,18H2,1-8H3,(H,48,49,50)/t19-,20-,22-,23-,24-,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,38-,39+,40-,41+/m1/s1 |
| SMILES |
C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)C5=C[C@H](O)[C@]67C(=O)O[C@@](C)([C@H]8CCC(C)(C)O8)[C@H]6CC[C@@]7(C)[C@@H]5CC[C@H]4C3(C)C)OC[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Holothuriidae | Holothuria polii | Ref. |
|
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