Chem
J-GLOBAL ID:200907009830098221   Nikkaji number:J2.244.075F

(4S)-1-(Allyloxy)-2-isobutyryl-3,3-dimethyl-4β-[3-(methoxymethoxy)-3-methylbutyl]-6β-[[(4S)-2-oxo-5,5-dimethyl-1,3-dioxolane-4β-yl]methyl]-6-vinyl-1-cyclohexene

(4S)-1-(アリルオキシ)-2-イソブチリル-3,3-ジメチル-4β-[3-(メトキシメトキシ)-3-メチルブチル]-6β-[[(4S)-2-オキソ-5,5-ジメチル-1,3-ジオキソラン-4β-イル]メチル]-6-ビニル-1-シクロヘキセン
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: C30H48O7
Molecular formula furigana: C30-H48-O7
Molecular weight: 520.707
InChI: InChI=1S/C30H48O7/c1-12-16-34-25-23(24(31)20(3)4)28(7,8)21(14-15-27(5,6)35-19-33-11)17-30(25,13-2)18-22-29(9,10)37-26(32)36-22/h12-13,20-22H,1-2,14-19H2,3-11H3/t21-,22-,30-/m0/s1
InChI key: ZRZWONZZLNNGKX-PWWNZBMUSA-N
SMILES: COCOC(C)(C)CC[C@H]1C[C@](C[C@@H]2OC(=O)OC2(C)C)(C=C)C(=C(C(=O)C(C)C)C1(C)C)OCC=C
Systematic name  (3):
  • (4S)-1-(アリルオキシ)-2-イソブチリル-3,3-ジメチル-4β-[3-(メトキシメトキシ)-3-メチルブチル]-6β-[[(4S)-2-オキソ-5,5-ジメチル-1,3-ジオキソラン-4β-イル]メチル]-6-ビニル-1-シクロヘキセン
  • (5S)-5-{[(1S,5S)-1-エテニル-5-[3-(メトキシメトキシ)-3-メチルブチル]-4,4-ジメチル-3-(2-メチルプロパノイル)-2-(プロパ-2-エン-1-イルオキシ)シクロヘキサ-2-エン-1-イル]メチル}-4,4-ジメチル-1,3-ジオキソラン-2-オン
  • (5S)-5-{[(1S,5S)-1-ethenyl-5-[3-(methoxymethoxy)-3-methylbutyl]-4,4-dimethyl-3-(2-methylpropanoyl)-2-(prop-2-en-1-yloxy)cyclohex-2-en-1-yl]methyl}-4,4-dimethyl-1,3-dioxolan-2-one
Other name (1):
  • (4S)-1-(Allyloxy)-2-isobutyryl-3,3-dimethyl-4β-[3-(methoxymethoxy)-3-methylbutyl]-6β-[[(4S)-2-oxo-5,5-dimethyl-1,3-dioxolane-4β-yl]methyl]-6-vinyl-1-cyclohexene
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