Chem
J-GLOBAL ID：200907033706138795   Nikkaji number：J81.900J

Oligomycin E

オリゴマイシンE
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： C45H72O13
Molecular formula furigana： C45-H72-O13
Molecular weight： 821.058
InChI： InChI=1S/C45H72O13/c1-12-32-17-15-13-14-16-25(3)40(52)43(10,54)41(53)31(9)39(51)30(8)38(50)29(7)37(49)24(2)18-21-36(48)56-42-28(6)33(20-19-32)57-45(44(42,11)55)35(47)22-26(4)34(58-45)23-27(5)46/h13-15,17-18,21,24-34,37,39-40,42,46,49,51-52,54-55H,12,16,19-20,22-23H2,1-11H3/b14-13+,17-15+,21-18+/t24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,37+,39+,40-,42+,43+,44+,45-/m1/s1
InChI key： UWEZMQMMPORRMH-LELOUUMBSA-N
SMILES： CC[C@H]1CC[C@H]2O[C@]3(O[C@H](C[C@H](C)O)[C@H](C)CC3=O)[C@@](C)(O)[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  (3)：
  • 26-ヒドロキシ-28-オキソオリゴマイシンA
  • (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27R,28S,29S)-22-エチル-7,11,14,15,28-ペンタヒドロキシ-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-3,3',9,13-テトラオン
  • (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27R,28S,29S)-22-ethyl-7,11,14,15,28-pentahydroxy-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-3,3',9,13-tetrone
Other name (3)：
  • Oligomycin E
  • オリゴマイシンE
  • 26-Hydroxy-28-oxooligomycin A
CAS registry number： 110231-34-0
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