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CHEBI:234072 - esculentin steroid
| Formula | C42H68O17 |
| Net Charge | 0 |
| Average Mass | 844.989 |
| Monoisotopic Mass | 844.44565 |
| SMILES | COC1CC(OC2CCC3(C)C(=CCC4(O)C3C(O)C(O)C3(C)CC(O)(C(C)=O)CC34O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1 |
| InChI | InChI=1S/C42H68O17/c1-19-29(44)34(53-9)30(45)37(56-19)59-33-21(3)55-28(16-26(33)52-8)58-32-20(2)54-27(15-25(32)51-7)57-24-11-12-38(5)23(14-24)10-13-41(49)35(38)31(46)36(47)39(6)17-40(48,22(4)43)18-42(39,41)50/h10,19-21,24-37,44-50H,11-18H2,1-9H3 |
| InChIKey | DPMVYTYRMGJDQQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| esculentin steroid (CHEBI:234072) is a steroid (CHEBI:35341) |
| IUPAC Name |
|---|
| 1-[3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,11,12,14,16-pentahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,17-decahydrocyclopenta[a]phenanthren-16-yl]ethanone |
| Registry Numbers | Sources |
|---|---|
| CAS:131889-89-9 | SUBMITTER |
| Citations |
|---|