Chem
J-GLOBAL ID：200907024243033817   Nikkaji number：J1.666.146E

Chaetoquadrin B

ケトクアドリンB
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： C20H24O6
Molecular formula furigana： C20-H24-O6
Molecular weight： 360.406
InChI： InChI=1S/C20H24O6/c1-10-5-14-16(23-4)8-17-18(15(22)7-11(2)24-17)19(14)26-20(10)9-13(21)6-12(3)25-20/h7-8,10,12-13,21H,5-6,9H2,1-4H3/t10-,12+,13+,20-/m1/s1
InChI key： MHQCFVVDBXCFCK-SKNNYEEJSA-N
SMILES： COc1cc2oc(C)cc(=O)c2c2O[C@]3(C[C@@H](O)C[C@H](C)O3)[C@H](C)Cc12
Systematic name  (4)：
  • (2R,3R)-3α,6′α,8-トリメチル-4′β-ヒドロキシ-5-メトキシ-3,3′,4,4′,5′,6′-ヘキサヒドロスピロ[2H,10H-ベンゾ[1,2-b:3,4-b′]ジピラン-2,2′-[2H]-ピラン]-10-オン
  • (2R,2′S,3R,4′S)-4′-ヒドロキシ-3,3′,4,4′-テトラヒドロ-5-メトキシ-2′,3,8-トリメチルスピロ[2H,10H-ベンゾ[1,2-b:3,4-b′]ジピラン-2,6′(5′H)-[2H]ピラン]-10-オン
  • (2R,3'R,4S,6S)-4-ヒドロキシ-5'-メトキシ-3',6,8'-トリメチル-4',10'-ジヒドロ-3'H-スピロ[オキサン-2,2'-ピラノ[2,3-f]クロメン]-10'-オン
  • (2R,3'R,4S,6S)-4-hydroxy-5'-methoxy-3',6,8'-trimethyl-4',10'-dihydro-3'H-spiro[oxane-2,2'-pyrano[2,3-f]chromen]-10'-one
Other name (4)：
  • (2R,3R)-3α,6′α,8-Trimethyl-4′β-hydroxy-5-methoxy-3,3′,4,4′,5′,6′-hexahydrospiro[2H,10H-benzo[1,2-b:3,4-b′]dipyran-2,2′-[2H]-pyran]-10-one
  • ケトクアドリンB
  • Chaetoquadrin B
  • (2R,2′S,3R,4′S)-4′-Hydroxy-3,3′,4,4′-tetrahydro-5-methoxy-2′,3,8-trimethylspiro[2H,10H-benzo[1,2-b:3,4-b′]dipyran-2,6′(5′H)-[2H]pyran]-10-one
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