Chem
J-GLOBAL ID：200907047855766392   Nikkaji number：J31.901E

Oligomycin A

オリゴマイシン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： C45H74O11
Molecular formula furigana： C45-H74-O11
Molecular weight： 791.076
InChI： InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,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-,38+,40+,41+,42-,44+,45-/m1/s1
InChI key： MNULEGDCPYONBU-WMBHJXFZSA-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@@](C)(O)[C@H](O)[C@@H](C)C/C=C/C=C/1)[C@H]2C
Systematic name  (4)：
  • オリゴマイシンA
  • (2S,4S,6R,10E,12E,26E,29S)-3′,4′,5′,6′-テトラヒドロ-9α-エチル-3β,15α,17β,19α,21α,23α,25α,29-オクタメチル-16β,17α,20β,24β-テトラヒドロキシ-6′β-((S)-2-ヒドロキシプロピル)-5′β-メチルスピロ[2,6-メタノ-1,5-ジオキサシクロオクタコサ-10,12,26-トリエン-4,2′-[2H]ピラン]-18,22,28-トリオン
  • (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-エチル-7,11,14,15-テトラヒドロキシ-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,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-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)：
  • RP-32705
  • (2S,4S,6R,10E,12E,26E,29S)-3′,4′,5′,6′-Tetrahydro-9α-ethyl-3β,15α,17β,19α,21α,23α,25α,29-octamethyl-16β,17α,20β,24β-tetrahydroxy-6′β-((S)-2-hydroxypropyl)-5′β-methylspiro[2,6-methano-1,5-dioxacyclooctacosa-10,12,26-triene-4,2′-[2H]pyran]-18,22,28-trione
  • Oligomycin A
CAS registry number： 579-13-5
Regulation number (2)：
  • RK3328000
  • EINECS2094373
KEGG COMPOUND： C11311
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