Chem
J-GLOBAL ID:200907077501931082
Nikkaji number:J2.560.967K
YR-303
(2R)-3-[4-(3-{4-[(2R)-2-ヒドロキシ-3,3-ジメチルブトキシ]-3-メチルフェニル}ペンタン-3-イル)-2-メチルフェノキシ]プロパン-1,2-ジオール
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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:
C28 H42 O5
Molecular formula furigana:
C28-H42-O5
Molecular weight:
458.639
InChI:
InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26+/m1/s1
InChI key:
AIKLCYAFOOBGEV-BVAGGSTKSA-N
SMILES:
CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
Systematic name (3):
(2R)-3-[4-[1-エチル-1-[4-[(2R)-2-ヒドロキシ-3,3-ジメチルブトキシ]-3-メチルフェニル]プロピル]-2-メチルフェノキシ]-1,2-プロパンジオール
(2R)-3-[4-(3-{4-[(2R)-2-ヒドロキシ-3,3-ジメチルブトキシ]-3-メチルフェニル}ペンタン-3-イル)-2-メチルフェノキシ]プロパン-1,2-ジオール
(2R)-3-[4-(3-{4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]propane-1,2-diol
Other name (2):
(2R)-3-[4-[1-Ethyl-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]propyl]-2-methylphenoxy]-1,2-propanediol
YR-303
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