| Name |
Holothurin A
(-)-Holothurin A |
| Formula |
C54H86O27S |
| Mw |
1198.50771828 |
| CAS RN |
38-26-6 |
| C_ID |
C00042590
, 
|
| InChIKey |
QSXMBOIARCMSMY-OPNMKFHYNA-N |
| InChICode |
InChI=1S/C54H86O27S/c1-22-39(76-45-38(64)41(33(59)26(20-56)74-45)77-44-37(63)40(70-9)32(58)25(19-55)73-44)35(61)36(62)43(72-22)78-42-34(60)27(81-82(67,68)69)21-71-46(42)75-30-13-15-50(6)24-18-29(57)54-47(65)80-52(8,31-12-14-48(2,3)79-31)53(54,66)17-16-51(54,7)23(24)10-11-28(50)49(30,4)5/h18,22-23,25-46,55-64,66H,10-17,19-21H2,1-9H3,(H,67,68,69)/t22-,23-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46+,50-,51+,52+,53+,54-/m1/s1 |
| SMILES |
C1=C2[C@H]([C@]3([C@]4([C@H]1O)[C@](CC3)([C@@](OC4=O)([C@H]1OC(CC1)(C)C)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[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 | Holothuria fuscocinerea | Ref. |
| Animalia | Holothuriidae | Holothuria leucospilota | Ref. |
| Animalia | Holothuriidae | Holothuria lubrica | Ref. |
| Animalia | Holothuriidae | Holothuria polii | Ref. |
| Animalia | Holothuriidae | Holothuria tubulosa | Ref. |
|
|
zoom in
| Organism | Holothuria lubrica |
|---|
| Reference | Matsuma,Nature,191,(1961),75 |
|---|
|
