| Name |
Holothurin B4
(-)-Holothurin B4 |
| Formula |
C41H64O17S |
| Mw |
860.38642135 |
| CAS RN |
852469-38-6 |
| C_ID |
C00042594
, 
|
| InChIKey |
YVDSJWPQFKPSCE-NUVZKDHQNA-N |
| InChICode |
InChI=1S/C41H64O17S/c1-20-27(43)29(45)30(46)32(54-20)56-31-28(44)23(58-59(50,51)52)19-53-33(31)55-26-12-15-37(6)22-18-25(42)41-34(47)57-39(8,14-9-13-35(2,3)48)40(41,49)17-16-38(41,7)21(22)10-11-24(37)36(26,4)5/h9,13,18,20-21,23-33,42-46,48-49H,10-12,14-17,19H2,1-8H3,(H,50,51,52)/b13-9+/t20-,21-,23-,24-,25+,26+,27-,28+,29+,30-,31-,32+,33+,37-,38+,39+,40+,41-/m1/s1 |
| SMILES |
C1=C2[C@H]([C@]3([C@]4([C@H]1O)[C@](CC3)([C@@](OC4=O)(C/C=C/C(C)(C)O)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)O)O)O)OS(=O)(=O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Holothuriidae | Holothuria polii | Ref. |
|
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