Chem
J-GLOBAL ID：200907089564175014   Nikkaji number：J2.244.078K

(1S)-1α-[[(4S)-2-Oxo-5,5-dimethyl-1,3-dioxolane-4β-yl]methyl]-5α-isobutyryl-6,6-dimethyl-7β-[3-(methoxymethoxy)-3-methylbutyl]bicyclo[3.3.1]nonane-2-ene-9-one

(1S)-1α-[[(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]-5α-イソブチリル-6,6-ジメチル-7β-[3-(メトキシメトキシ)-3-メチルブチル]ビシクロ[3.3.1]ノナン-2-エン-9-オン
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： C28H44O7
Molecular formula furigana： C28-H44-O7
Molecular weight： 492.653
InChI： InChI=1S/C28H44O7/c1-18(2)21(29)28-13-10-12-27(22(28)30,16-20-26(7,8)35-23(31)34-20)15-19(25(28,5)6)11-14-24(3,4)33-17-32-9/h10,12,18-20H,11,13-17H2,1-9H3/t19-,20-,27-,28+/m0/s1
InChI key： WVSOINUTSZIIDU-LNYGVPGBSA-N
SMILES： COCOC(C)(C)CC[C@H]1C[C@]2(C[C@@H]3OC(=O)OC3(C)C)C=CC[C@@](C(=O)C(C)C)(C2=O)C1(C)C
Systematic name  (3)：
  • (1S)-1α-[[(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]-5α-イソブチリル-6,6-ジメチル-7β-[3-(メトキシメトキシ)-3-メチルブチル]ビシクロ[3.3.1]ノナン-2-エン-9-オン
  • (5S)-5-{[(1S,5R,7S)-7-[3-(メトキシメトキシ)-3-メチルブチル]-6,6-ジメチル-5-(2-メチルプロパノイル)-9-オキソビシクロ[3.3.1]ノナ-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,5R,7S)-7-[3-(methoxymethoxy)-3-methylbutyl]-6,6-dimethyl-5-(2-methylpropanoyl)-9-oxobicyclo[3.3.1]non-2-en-1-yl]methyl}-4,4-dimethyl-1,3-dioxolan-2-one
Other name (1)：
  • (1S)-1α-[[(4S)-2-Oxo-5,5-dimethyl-1,3-dioxolane-4β-yl]methyl]-5α-isobutyryl-6,6-dimethyl-7β-[3-(methoxymethoxy)-3-methylbutyl]bicyclo[3.3.1]nonane-2-ene-9-one
Thsaurus map：
Thesaurus Map

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