Chem
J-GLOBAL ID：200907096318232030
Nikkaji number：J1.986.340I
(2S,5R,6S)-1-Methoxy-1,2,5,6-tetrahydro-2,6-cyclo-ψ,ψ-carotene-5-ol
(2S,5R,6S)-1-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-5-オール
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： C41H60O2
Molecular formula furigana： C41-H60-O2
Molecular weight： 584.929
InChI：
InChI=1S/C41H60O2/c1-32(2)18-14-21-35(5)24-16-26-36(6)25-15-22-33(3)19-12-13-20-34(4)23-17-27-37(7)28-29-39-38(40(8,9)43-11)30-31-41(39,10)42/h12-13,15-20,22-29,38-39,42H,14,21,30-31H2,1-11H3/b13-12+,22-15+,23-17+,26-16+,29-28+,33-19+,34-20+,35-24+,36-25+,37-27+/t38-,39-,41+/m0/s1
InChI key：
RRKGUCMFKYLBQP-STKYATLVSA-N
SMILES：
COC(C)(C)[C@H]1CC[C@@](C)(O)[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)：
- (2S,5R,6S)-1-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-5-オール
- (1R,2S,3S)-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]-3-(2-メトキシプロパン-2-イル)-1-メチルシクロペンタン-1-オール
- (1R,2S,3S)-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]-3-(2-methoxypropan-2-yl)-1-methylcyclopentan-1-ol
- (2S,5R,6S)-1-Methoxy-1,2,5,6-tetrahydro-2,6-cyclo-ψ,ψ-carotene-5-ol
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