Chem
J-GLOBAL ID:200907017096337485   Nikkaji number:J18.069F

Cneorin K1

クネオリンK1
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: C26H30O7
Molecular formula furigana: C26-H30-O7
Molecular weight: 454.519
InChI: InChI=1S/C26H30O7/c1-22(2)18(23(3)10-7-19(27)32-23)13-25(29-4,33-22)12-17-6-5-9-24-15-26(17,24)21(28)31-20(24)16-8-11-30-14-16/h6-8,10-11,14,18,20H,5,9,12-13,15H2,1-4H3/t18-,20-,23-,24+,25+,26+/m0/s1
InChI key: ZCMPVWIGORVOPF-KWMXXHOFSA-N
SMILES: CO[C@@]1(CC2=CCC[C@]34C[C@]23C(=O)O[C@H]4c2ccoc2)C[C@@H](C(C)(C)O1)[C@@]1(C)OC(=O)C=C1
Systematic name  (3):
  • (3R)-4,5-ジヒドロ-3β-(3-フリル)-7-[[(2S,4S)-4-[(2S)-2,5-ジヒドロ-2-メチル-5-オキソフラン-2-イル]-2-メトキシ-5,5-ジメチルテトラヒドロフラン-2-イル]メチル]-3aβ,7aβ-メタノイソベンゾフラン-1(3H)-オン
  • (1S,6S,9R)-9-(フラン-3-イル)-5-{[(2S,4S)-2-メトキシ-5,5-ジメチル-4-[(2S)-2-メチル-5-オキソ-2,5-ジヒドロフラン-2-イル]オキソラン-2-イル]メチル}-8-オキサトリシクロ[4.3.1.01,6]デカ-4-エン-7-オン
  • (1S,6S,9R)-9-(furan-3-yl)-5-{[(2S,4S)-2-methoxy-5,5-dimethyl-4-[(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxolan-2-yl]methyl}-8-oxatricyclo[4.3.1.01,6]dec-4-en-7-one
Other name (3):
  • クネオリンK1
  • Cneorin K1
  • (3R)-4,5-Dihydro-3β-(3-furyl)-7-[[(2S,4S)-4-[(2S)-2,5-dihydro-2-methyl-5-oxofuran-2-yl]-2-methoxy-5,5-dimethyltetrahydrofuran-2-yl]methyl]-3aβ,7aβ-methanoisobenzofuran-1(3H)-one
CAS registry number: 70449-71-7
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