Chem
J-GLOBAL ID：200907087102921729   Nikkaji number：J9.825F

Nonactin

ノナクチン
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： C40H64O12
Molecular formula furigana： C40-H64-O12
Molecular weight： 736.940
InChI： InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-
InChI key： RMIXHJPMNBXMBU-QIIXEHPYSA-N
SMILES： C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
Systematic name  (5)：
  • ノナクチン
  • (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-2,5,11,14,20,23,29,32-オクタメチル-4,13,22,31,37,38,39,40-オクタオキサペンタシクロ[32.2.1.17,10.116,19.125,28]テトラコンタン-3,12,21,30-テトラオン
  • (3R)-3α,9α,12β,18β,21α,27α,30β,36β-オクタメチル-4α,7α:13β,16β:22α,25α:31β,34β-テトラエポキシ-1,10,19,28-テトラオキサシクロヘキサトリアコンタン-2,11,20,29-テトラオン
  • (3S)-3β,9β,12α,18α,21β,27β,30α,36α-オクタメチル-4β,7β:13α,16α:22β,25β:31α,34α-テトラエポキシ-1,10,19,28-テトラオキサシクロヘキサトリアコンタン-2,11,20,29-テトラオン
  • (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
Other name (10)：
  • Nonactin
  • E-79-C
  • FM-3582A
  • A-5584
  • 3584-A
Show all
CAS registry number： 6833-84-7
Regulation number (2)：
  • RH1685000
  • EINECS2299113
KEGG COMPOUND： C11186
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