Chem
J-GLOBAL ID：200907029475596402   Nikkaji number：J39.564A

Oligomycin C

オリゴマイシンC
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： C45H74O10
Molecular formula furigana： C45-H74-O10
Molecular weight： 775.077
InChI： InChI=1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m1/s1
InChI key： CMMLZMMKTYEOKV-JEKNLLRFSA-N
SMILES： CC[C@H]1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)[C@H](C)[C@@H](OC(=O)/C=C/[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@@H](C)C/C=C/C=C/1)[C@H]2C
Systematic name  (3)：
  • 12-デオキシオリゴマイシンA
  • (1S,4E,5'R,6R,6'R,7S,8R,10S,11R,12R,14R,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-エチル-7,11,15-トリヒドロキシ-6'-[(2S)-2-ヒドロキシプロピル]-5',6,8,10,12,14,16,28,29-ノナメチル-2,26-ジオキサスピロ[ビシクロ[23.3.1]ノナコサン-27,2'-オキサン]-4,18,20-トリエン-3,9,13-トリオン
  • (1S,4E,5'R,6R,6'R,7S,8R,10S,11R,12R,14R,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,15-trihydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-2,26-dioxaspiro[bicyclo[23.3.1]nonacosane-27,2'-oxane]-4,18,20-triene-3,9,13-trione
Other name (3)：
  • オリゴマイシンC
  • Oligomycin C
  • 12-Deoxyoligomycin A
CAS registry number： 11052-72-5
Regulation number (2)：
  • RK3335000
  • EINECS2342760
KEGG COMPOUND： C11313
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