Chem
J-GLOBAL ID：200907026070324759   Nikkaji number：J1.503.929I

Atranone G

アトラノンG
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： C25H34O8
Molecular formula furigana： C25-H34-O8
Molecular weight： 462.539
InChI： InChI=1S/C25H34O8/c1-13(2)19-17-9-8-14(3)21(31-16(5)26)25(29)12-18(27)32-22(25)15(4)10-11-24(17,6)33-23(28)20(19)30-7/h8,13,17,21,29H,9-12H2,1-7H3/b14-8-,22-15-/t17-,21?,24+,25+/m1/s1
InChI key： WSJAHUXFDVXVRY-SVFURHGHSA-N
SMILES： COC1=C(C(C)C)[C@H]2C/C=C(/C)\C(OC(=O)C)[C@@]3(O)CC(=O)O/C/3=C(/C)\CC[C@]2(C)OC1=O
Systematic name  (3)：
  • (4aR,6Z,8S,9S,10E,13aS)-2-オキソ-3-メトキシ-4-イソプロピル-7,11,13a-トリメチル-8-アセトキシ-9,10-ジヒドロキシ-2,4a,5,8,9,12,13,13a-オクタヒドロ-シクロウンデカ[b]ピラン-9-酢酸9,10-ラクトン
  • (1S,4Z,9S,10S,11Z,14R)-9-ヒドロキシ-16-メトキシ-1,4,11-トリメチル-7,17-ジオキソ-15-(プロパン-2-イル)-6,18-ジオキサトリシクロ[12.4.0.05,9]オクタデカ-4,11,15-トリエン-10-イル アセタート
  • (1S,4Z,9S,10S,11Z,14R)-9-hydroxy-16-methoxy-1,4,11-trimethyl-7,17-dioxo-15-(propan-2-yl)-6,18-dioxatricyclo[12.4.0.05,9]octadeca-4,11,15-trien-10-yl acetate
Other name (3)：
  • (4aR,6Z,8S,9S,10E,13aS)-2-Oxo-3-methoxy-4-isopropyl-7,11,13a-trimethyl-8-acetoxy-9,10-dihydroxy-2,4a,5,8,9,12,13,13a-octahydro-cycloundeca[b]pyran-9-acetic acid 9,10-lactone
  • アトラノンG
  • Atranone G
CAS registry number： 327993-00-0
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