Term: | helvolic acid |
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Accession: | CHEBI:62460
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Definition: | A steroid C-21 acid having a 29-nordammarane skeleton substituted with an acetoxy group at C-16 and oxo groups at C-3 and -7, with double bonds at C-1, -17(20) and -24. |
Synonyms: | exact_synonym: | (17Z)-6beta,16beta-diacetoxy-4alpha,8,14-trimethyl-3,7-dioxo-5alpha,8alpha,9beta,13alpha,14beta-18-norcholesta-1,17,24-trien-21-oic acid |
| related_synonym: | (2Z)-2-[(4alpha,5alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17Z)-6,16-diacetoxy-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-methylhept-5-enoic acid; (4alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17beta)-6,16- bis(acetyloxy)-3,7-dioxo-29-nordammara-1,17(20),24-trien-21-oic acid; 16-(Acetyloxy)-3,7-dioxo-29-nordammara-1,17(20),24-trien-21-oic acid; Formula=C33H44O8; Fumigacin; InChI=1S/C33H44O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,14-15,18,22,24-25,27-28H,9,11-13,16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,24+,25+,27-,28+,31-,32+,33-/m1/s1; InChIKey=MDFZYGLOIJNNRM-OAJDADRGSA-N; SMILES=C=1[C@@]2([C@@]3(CC[C@@]/4([C@@]([C@]3(C([C@H]([C@]2([C@@H](C(C1)=O)C)[H])OC(=O)C)=O)C)(C[C@@H](\\C4=C(\\CCC=C(C)C)/C(=O)O)OC(=O)C)C)[H])[H])C |
| xref: | Beilstein:3230584; CAS:29400-42-8; KNApSAcK:C00023904; LIPID_MAPS_instance:LMPR0106080005; PMID:19216560; PMID:27604096; PMID:30070829; PMID:30341897; PMID:30822136; PMID:30972287; PMID:31091673; PMID:31660859 |
| cyclic_relationship: | is_conjugate_acid_of CHEBI:62461 |
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