Chem
J-GLOBAL ID：200907093492595754
Nikkaji number：J1.986.342E
(2R,5S,6R)-1,5-Dimethoxy-1,2,5,6-tetrahydro-2,6-cyclo-ψ,ψ-carotene
(2R,5S,6R)-1,5-ジメトキシ-1,2,5,6-テトラヒドロ-2,6-シクロ-ψ,ψ-カロテン
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： C42H62O2
Molecular formula furigana： C42-H62-O2
Molecular weight： 598.956
InChI：
InChI=1S/C42H62O2/c1-33(2)19-15-22-36(5)25-17-27-37(6)26-16-23-34(3)20-13-14-21-35(4)24-18-28-38(7)29-30-40-39(41(8,9)43-11)31-32-42(40,10)44-12/h13-14,16-21,23-30,39-40H,15,22,31-32H2,1-12H3/b14-13+,23-16+,24-18+,27-17+,30-29+,34-20+,35-21+,36-25+,37-26+,38-28+/t39-,40-,42+/m1/s1
InChI key：
AFFBSSFOROWAJL-SXYILHLLSA-N
SMILES：
COC(C)(C)[C@@H]1CC[C@](C)(OC)[C@@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C
Systematic name (3)：
- (2R,5S,6R)-1,5-ジメトキシ-1,2,5,6-テトラヒドロ-2,6-シクロ-ψ,ψ-カロテン
- (1S,2R,3R)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-ヘキサメチルペンタコサ-1,3,5,7,9,11,13,15,17,19,23-ウンデカエン-1-イル]-1-メトキシ-3-(2-メトキシプロパン-2-イル)-1-メチルシクロペンタン
- (1S,2R,3R)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1-methoxy-3-(2-methoxypropan-2-yl)-1-methylcyclopentane
- (2R,5S,6R)-1,5-Dimethoxy-1,2,5,6-tetrahydro-2,6-cyclo-ψ,ψ-carotene
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