| 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 |
C1=C2[C@H]([C@]3([C@]4([C@H]1O)[C@](CC3)([C@@](OC4=O)([C@@H](CCC(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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