Chem
J-GLOBAL ID：202007002185098886
Nikkaji number：J3.746.439B
(3R,3aS,6aS)-3-[2-(1,3-dioxolan-2-yl)ethyl]-4,4,6a-trimethyl-3,3a-dihydro-2H-pentalen-1-one
(3R,3aS,6aS)-3-[2-(1,3-ジオキソラン-2-イル)エチル]-4,4,6a-トリメチル-3,3a-ジヒドロ-2H-ペンタレン-1-オン
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： C16H24O3
Molecular formula furigana： C16-H24-O3
Molecular weight： 264.365
InChI：
InChI=1S/C16H24O3/c1-15(2)6-7-16(3)12(17)10-11(14(15)16)4-5-13-18-8-9-19-13/h6-7,11,13-14H,4-5,8-10H2,1-3H3/t11-,14+,16-/m1/s1
InChI key：
XJYMPVDENBYNGQ-DIOULYMOSA-N
SMILES：
C1(=O)C[C@H]([C@H]2C(C=C[C@]12C)(C)C)CCC1OCCO1
Systematic name (3)：
- (3R,3aS,6aS)-3-[2-(1,3-ジオキソラン-2-イル)エチル]-4,4,6a-トリメチル-3,3a,4,6a-テトラヒドロペンタレン-1(2H)-オン
- (3R,3aS,6aS)-3-[2-(1,3-ジオキソラン-2-イル)エチル]-4,4,6a-トリメチル-1,2,3,3a,4,6a-ヘキサヒドロペンタレン-1-オン
- (3R,3aS,6aS)-3-[2-(1,3-dioxolan-2-yl)ethyl]-4,4,6a-trimethyl-1,2,3,3a,4,6a-hexahydropentalen-1-one
- (3R,3aS,6aS)-3-[2-(1,3-ジオキソラン-2-イル)エチル]-4,4,6a-トリメチル-3,3a-ジヒドロ-2H-ペンタレン-1-オン
- (3R,3aS,6aS)-3-[2-(1,3-dioxolan-2-yl)ethyl]-4,4,6a-trimethyl-3,3a-dihydro-2H-pentalen-1-one
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