Chem
J-GLOBAL ID:201107069059884822   Nikkaji number:J2.982.525D

Bis[(1S,4R)-3-oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid][(1R,2R)-3,3-dimethyl-5-oxo-2,3-dihydro-1H,5H-pyrano[2,3-c][1]benzopyran]-1,2-diyl ester

ビス[(1S,4R)-3-オキソ-4,7,7-トリメチル-2-オキサビシクロ[2.2.1]ヘプタン-1-カルボン酸][(1R,2R)-3,3-ジメチル-5-オキソ-2,3-ジヒドロ-1H,5H-ピラノ[2,3-c][1]ベンゾピラン]-1,2-ジイル
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: C34H38O11
Molecular formula furigana: C34-H38-O11
Molecular weight: 622.667
InChI: InChI=1S/C34H38O11/c1-28(2)22(42-27(39)34-16-14-32(8,25(37)45-34)30(34,5)6)20(19-17-11-9-10-12-18(17)40-23(35)21(19)43-28)41-26(38)33-15-13-31(7,24(36)44-33)29(33,3)4/h9-12,20,22H,13-16H2,1-8H3/t20-,22-,31+,32+,33-,34-/m1/s1
InChI key: KNOGYRDSEIYVBX-MCNFJFHDSA-N
SMILES: CC1(C)[C@@]2(C)CC[C@@]1(OC2=O)C(=O)O[C@H]1[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)C(C)(C)Oc2c1c1ccccc1oc2=O
Systematic name  (3):
  • ビス[(1S,4R)-3-オキソ-4,7,7-トリメチル-2-オキサビシクロ[2.2.1]ヘプタン-1-カルボン酸][(1R,2R)-3,3-ジメチル-5-オキソ-2,3-ジヒドロ-1H,5H-ピラノ[2,3-c][1]ベンゾピラン]-1,2-ジイル
  • (1R,2R)-3,3-ジメチル-5-オキソ-2-[(1S,4R)-4,7,7-トリメチル-3-オキソ-2-オキサビシクロ[2.2.1]ヘプタン-1-カルボニルオキシ]-1H,2H,3H,5H-ピラノ[2,3-c]クロメン-1-イル (1S,4R)-4,7,7-トリメチル-3-オキソ-2-オキサビシクロ[2.2.1]ヘプタン-1-カルボキシラート
  • (1R,2R)-3,3-dimethyl-5-oxo-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyloxy]-1H,2H,3H,5H-pyrano[2,3-c]chromen-1-yl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Other name (1):
  • Bis[(1S,4R)-3-oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid][(1R,2R)-3,3-dimethyl-5-oxo-2,3-dihydro-1H,5H-pyrano[2,3-c][1]benzopyran]-1,2-diyl ester
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