Chem
J-GLOBAL ID:200907085145773178
Nikkaji number:J1.824.967G
(4S)-2,2-Dimethyl-4β-[3-[(2R)-6α-isopropoxy-3,6-dihydro-2H-pyran-2β-yl]-2-propenyl]-6α-phenethyl-1,3-dioxane
(4S)-2,2-ジメチル-4β-[3-[(2R)-6α-イソプロポキシ-3,6-ジヒドロ-2H-ピラン-2β-イル]-2-プロペニル]-6α-フェネチル-1,3-ジオキサン
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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:
C25 H36 O4
Molecular formula furigana:
C25-H36-O4
Molecular weight:
400.559
InChI:
InChI=1S/C25H36O4/c1-19(2)26-24-15-9-13-21(27-24)12-8-14-22-18-23(29-25(3,4)28-22)17-16-20-10-6-5-7-11-20/h5-12,15,19,21-24H,13-14,16-18H2,1-4H3/t21-,22-,23-,24+/m0/s1
InChI key:
CLACQZAEFUZKKE-NEWJYFPISA-N
SMILES:
CC(C)O[C@@H]1O[C@H](CC=C1)C=CC[C@H]1C[C@H](CCc2ccccc2)OC(C)(C)O1
Systematic name (3):
(4S)-2,2-ジメチル-4β-[3-[(2R)-6α-イソプロポキシ-3,6-ジヒドロ-2H-ピラン-2β-イル]-2-プロペニル]-6α-フェネチル-1,3-ジオキサン
(4S,6S)-2,2-ジメチル-4-(2-フェニルエチル)-6-{3-[(2R,6R)-6-(プロパン-2-イルオキシ)-3,6-ジヒドロ-2H-ピラン-2-イル]プロパ-2-エン-1-イル}-1,3-ジオキサン
(4S,6S)-2,2-dimethyl-4-(2-phenylethyl)-6-{3-[(2R,6R)-6-(propan-2-yloxy)-3,6-dihydro-2H-pyran-2-yl]prop-2-en-1-yl}-1,3-dioxane
Other name (1):
(4S)-2,2-Dimethyl-4β-[3-[(2R)-6α-isopropoxy-3,6-dihydro-2H-pyran-2β-yl]-2-propenyl]-6α-phenethyl-1,3-dioxane
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