Chem
J-GLOBAL ID：200907054329638416
Nikkaji number：J1.987.756F
(1S,5R,6R)-1-[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl]-4-methyl-1α,5β,6β-trihydroxy-3-cyclohexene-2-one
(1S,5R,6R)-1-[(2E,6E)-3,7,11-トリメチル-2,6,10-ドデカトリエニル]-4-メチル-1α,5β,6β-トリヒドロキシ-3-シクロヘキセン-2-オン
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
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
Molecular formula： C22H34O4
Molecular formula furigana： C22-H34-O4
Molecular weight： 362.510
InChI：
InChI=1S/C22H34O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-22(26)19(23)14-18(5)20(24)21(22)25/h8,10,12,14,20-21,24-26H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+/t20-,21-,22-/m1/s1
InChI key：
OAJBJWHLTFTYAG-LZSPVNHTSA-N
SMILES：
CC(=CCC/C(=C/CC/C(=C/C[C@]1(O)[C@H](O)[C@H](O)C(=CC1=O)C)/C)/C)C
Systematic name (3)：
- (1S,5R,6R)-1-[(2E,6E)-3,7,11-トリメチル-2,6,10-ドデカトリエニル]-4-メチル-1α,5β,6β-トリヒドロキシ-3-シクロヘキセン-2-オン
- (4R,5R,6S)-4,5,6-トリヒドロキシ-3-メチル-6-[(2E,6E)-3,7,11-トリメチルドデカ-2,6,10-トリエン-1-イル]シクロヘキサ-2-エン-1-オン
- (4R,5R,6S)-4,5,6-trihydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohex-2-en-1-one
- (1S,5R,6R)-1-[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl]-4-methyl-1α,5β,6β-trihydroxy-3-cyclohexene-2-one
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