Chem
J-GLOBAL ID:200907043577502855   Nikkaji number:J2.295.575F

(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid (2S)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl ester

(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-カルボン酸(2S)-2,5,7,8-テトラメチル-2-[(4R,8R)-4,8,12-トリメチルトリデシル]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-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: C39H62O5
Molecular formula furigana: C39-H62-O5
Molecular weight: 610.920
InChI: InChI=1S/C39H62O5/c1-25(2)15-12-16-26(3)17-13-18-27(4)19-14-21-37(10)22-20-31-30(7)32(28(5)29(6)33(31)43-37)42-35(41)39-24-23-38(11,34(40)44-39)36(39,8)9/h25-27H,12-24H2,1-11H3/t26-,27-,37+,38+,39-/m1/s1
InChI key: DKRVXPPPYIFUJH-PGDIBGMXSA-N
SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@]1(C)CCc2c(C)c(OC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c(C)c(C)c2O1
Systematic name  (3):
  • (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-カルボン酸(2S)-2,5,7,8-テトラメチル-2-[(4R,8R)-4,8,12-トリメチルトリデシル]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-イル
  • (2S)-2,5,7,8-テトラメチル-2-[(4R,8R)-4,8,12-トリメチルトリデシル]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-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
  • (2S)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Other name (1):
  • (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid (2S)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl ester
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