Chem
J-GLOBAL ID：200907081882321134   Nikkaji number：J1.157.934E

Mycolactone A

ミコラクトンA
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C44H70O9
Molecular formula furigana： C44-H70-O9
Molecular weight： 743.035
InChI： InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21-,31-17?,32-23+
InChI key： WKTLNJXZVDLRTJ-IASHCJBRSA-N
SMILES： CC(O)CC(O)C(C)/C=C(\C)/CC(C)C1CC=C(C)CC(C)C(CCCC(=O)O1)OC(=O)/C=C/C(=C\C(=C\C=C\C(=C\C(O)C(O)CC(C)O)\C)\C)/C
Systematic name  (3)：
  • (2E,4Z,6E,8E,10E)-4,6,10-トリメチル-12,13,15-トリヒドロキシ-2,4,6,8,10-ヘキサデカペンタエン酸2-オキソ-7,9-ジメチル-12-[(E)-1,3,5-トリメチル-6,8-ジヒドロキシ-3-ノネニル]-1-オキサシクロドデカ-9-エン-6-イル
  • 12-[(4E)-7,9-ジヒドロキシ-4,6-ジメチルデカ-4-エン-2-イル]-7,9-ジメチル-2-オキソ-1-オキサシクロドデカ-9-エン-6-イル (2E,4Z,6E,8E,10E)-12,13,15-トリヒドロキシ-4,6,10-トリメチルヘキサデカ-2,4,6,8,10-ペンタエノアート
  • 12-[(4E)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl (2E,4Z,6E,8E,10E)-12,13,15-trihydroxy-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoate
Other name (3)：
  • (2E,4Z,6E,8E,10E)-4,6,10-Trimethyl-12,13,15-trihydroxy-2,4,6,8,10-hexadecapentaenoic acid 2-oxo-7,9-dimethyl-12-[(E)-1,3,5-trimethyl-6,8-dihydroxy-3-nonenyl]-1-oxacyclododeca-9-ene-6-yl ester
  • ミコラクトンA
  • Mycolactone A
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