Chem
J-GLOBAL ID:200907051128595698   Nikkaji number:J396.309H

(2R,8aS)-2-[(4R,8R)-4,8,12-Trimethyltridecyl]-3,4-dihydro-2,5,7,8-tetramethyl-8aα-[[(S)-1-cyano-1,3-dimethylbutyl]peroxy]-2H-1-benzopyran-6(8aH)-one

(2R,8aS)-2-[(4R,8R)-4,8,12-トリメチルトリデシル]-3,4-ジヒドロ-2,5,7,8-テトラメチル-8aα-[[(S)-1-シアノ-1,3-ジメチルブチル]ペルオキシ]-2H-1-ベンゾピラン-6(8aH)-オン
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: C36H61NO4
Molecular formula furigana: C36-H61-N-O4
Molecular weight: 571.887
InChI: InChI=1S/C36H61NO4/c1-25(2)15-12-16-27(5)17-13-18-28(6)19-14-21-34(10)22-20-32-30(8)33(38)29(7)31(9)36(32,39-34)41-40-35(11,24-37)23-26(3)4/h25-28H,12-23H2,1-11H3/t27-,28-,34-,35+,36+/m1/s1
InChI key: HCMZVOKNSIAKIC-DRBUZSDNSA-N
SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(=O)C(=C(C)[C@@]2(OO[C@@](C)(CC(C)C)C#N)O1)C
Systematic name  (3):
  • (2R,8aS)-2-[(4R,8R)-4,8,12-トリメチルトリデシル]-3,4-ジヒドロ-2,5,7,8-テトラメチル-8aα-[[(S)-1-シアノ-1,3-ジメチルブチル]ペルオキシ]-2H-1-ベンゾピラン-6(8aH)-オン
  • (2S)-2-{[(2R,8aS)-2,5,7,8-テトラメチル-6-オキソ-2-[(4R,8R)-4,8,12-トリメチルトリデシル]-3,4,6,8a-テトラヒドロ-2H-1-ベンゾピラン-8a-イル]ペルオキシ}-2,4-ジメチルペンタンニトリル
  • (2S)-2-{[(2R,8aS)-2,5,7,8-tetramethyl-6-oxo-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4,6,8a-tetrahydro-2H-1-benzopyran-8a-yl]peroxy}-2,4-dimethylpentanenitrile
Other name (1):
  • (2R,8aS)-2-[(4R,8R)-4,8,12-Trimethyltridecyl]-3,4-dihydro-2,5,7,8-tetramethyl-8aα-[[(S)-1-cyano-1,3-dimethylbutyl]peroxy]-2H-1-benzopyran-6(8aH)-one
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