| Name |
Mollisoside A
(-)-Mollisoside A |
| Formula |
C54H84O25S |
| Mw |
1164.50223897 |
| CAS RN |
857288-90-5 |
| C_ID |
C00042744
, 
|
| InChIKey |
UXSRFAQDAAQGTA-CRRYHMOINA-N |
| InChICode |
InChI=1S/C54H84O25S/c1-23(2)10-13-32(57)53(8)31-15-18-52(7)26-11-12-30-50(4,5)33(16-17-51(30,6)25(26)14-19-54(31,52)49(65)78-53)74-48-44(36(60)29(22-70-48)79-80(66,67)68)77-45-38(62)37(61)41(24(3)71-45)75-47-40(64)43(35(59)28(21-56)73-47)76-46-39(63)42(69-9)34(58)27(20-55)72-46/h11,24-25,27-31,33-48,55-56,58-64H,1,10,12-22H2,2-9H3,(H,66,67,68)/t24-,25+,27-,28-,29-,30+,31-,33+,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45+,46+,47+,48+,51-,52+,53-,54-/m1/s1 |
| SMILES |
C=C(C)CCC(=O)[C@]1(C)OC(=O)[C@]23CC[C@H]4C(=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]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]2(C)CC[C@H]13 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Holothuriidae | Australostichopus mollis | Ref. |
|
|
zoom in
| Organism | Australostichopus mollis |
|---|
| Reference | Moraes,J.Nat.Prod.,68,(2005),842 |
|---|
|
