Chem
J-GLOBAL ID：200907041820801987
Nikkaji number：J968.767J
6-[2-(1,2,6β-Trimethyl-2α,3α-dihydroxycyclohexane-1α-yl)ethyl]-1,4-naphthoquinone
6-[2-(1,2,6β-トリメチル-2α,3α-ジヒドロキシシクロヘキサン-1α-イル)エチル]-1,4-ナフトキノン
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： C21H26O4
Molecular formula furigana： C21-H26-O4
Molecular weight： 342.435
InChI：
InChI=1S/C21H26O4/c1-13-4-9-19(24)21(3,25)20(13,2)11-10-14-5-6-15-16(12-14)18(23)8-7-17(15)22/h5-8,12-13,19,24-25H,4,9-11H2,1-3H3/t13-,19-,20+,21-/m1/s1
InChI key：
NJQYJWPUYFYJJK-NHDXWUKRSA-N
SMILES：
C[C@@H]1CC[C@@H](O)[C@@](C)(O)[C@@]1(C)CCc1ccc2C(=O)C=CC(=O)c2c1
Systematic name (3)：
- 6-[2-(1,2,6β-トリメチル-2α,3α-ジヒドロキシシクロヘキサン-1α-イル)エチル]-1,4-ナフトキノン
- 6-{2-[(1S,2S,3R,6R)-2,3-ジヒドロキシ-1,2,6-トリメチルシクロヘキシル]エチル}-1,4-ジヒドロナフタレン-1,4-ジオン
- 6-{2-[(1S,2S,3R,6R)-2,3-dihydroxy-1,2,6-trimethylcyclohexyl]ethyl}-1,4-dihydronaphthalene-1,4-dione
- 6-[2-(1,2,6β-Trimethyl-2α,3α-dihydroxycyclohexane-1α-yl)ethyl]-1,4-naphthoquinone
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