Chem
J-GLOBAL ID:200907027584983545   Nikkaji number:J2.150.214F

Bis[(1S,4S)-3-oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid](9R,10R)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b′]dipyran-9α,10α-diyl ester

ビス[(1S,4S)-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](9R,10R)-8,8-ジメチル-2-オキソ-9,10-ジヒドロ-2H,8H-ベンゾ[1,2-b:3,4-b′]ジピラン-9α,10α-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)23(42-27(39)34-16-14-32(8,25(37)45-34)30(34,5)6)22(20-18(43-28)11-9-17-10-12-19(35)40-21(17)20)41-26(38)33-15-13-31(7,24(36)44-33)29(33,3)4/h9-12,22-23H,13-16H2,1-8H3/t22-,23-,31-,32-,33-,34-/m1/s1
InChI key: ZJIDTNTWJHYPGM-VHRZISHOSA-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)Oc2ccc3ccc(=O)oc3c12
Systematic name  (3):
  • ビス[(1S,4S)-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](9R,10R)-8,8-ジメチル-2-オキソ-9,10-ジヒドロ-2H,8H-ベンゾ[1,2-b:3,4-b′]ジピラン-9α,10α-ジイル
  • (9R,10R)-8,8-ジメチル-2-オキソ-9-[(1S,4S)-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]-2H,8H,9H,10H-ピラノ[2,3-h]クロメン-10-イル (1S,4S)-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
  • (9R,10R)-8,8-dimethyl-2-oxo-9-[(1S,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyloxy]-2H,8H,9H,10H-pyrano[2,3-h]chromen-10-yl (1S,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Other name (1):
  • Bis[(1S,4S)-3-oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid](9R,10R)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b′]dipyran-9α,10α-diyl ester
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