Chem
J-GLOBAL ID:200907096126250590
Nikkaji number:J2.172.906J
(2R)-2α,3β-Bis(pivaloyloxy)-5β,8β-methano-1,2,3,4,4aβ,5,8,8aβ-octahydronaphthalene-1,4-dione
(2R)-2α,3β-ビス(ピバロイルオキシ)-5β,8β-メタノ-1,2,3,4,4aβ,5,8,8aβ-オクタヒドロナフタレン-1,4-ジオン
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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:
C21 H28 O6
Molecular formula furigana:
C21-H28-O6
Molecular weight:
376.449
InChI:
InChI=1S/C21H28O6/c1-20(2,3)18(24)26-16-14(22)12-10-7-8-11(9-10)13(12)15(23)17(16)27-19(25)21(4,5)6/h7-8,10-13,16-17H,9H2,1-6H3/t10-,11+,12-,13+,16-,17-/m0/s1
InChI key:
XOXVSFHCJATNAY-FOHUKVNHSA-N
SMILES:
CC(C)(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)(C)C)C(=O)[C@@H]2[C@H]3C[C@H](C=C3)[C@@H]2C1=O
Systematic name (3):
(2R)-2α,3β-ビス(ピバロイルオキシ)-5β,8β-メタノ-1,2,3,4,4aβ,5,8,8aβ-オクタヒドロナフタレン-1,4-ジオン
(1S,2R,4R,5R,7S,8R)-5-[(2,2-ジメチルプロパノイル)オキシ]-3,6-ジオキソトリシクロ[6.2.1.02,7 ]ウンデカ-9-エン-4-イル 2,2-ジメチルプロパノアート
(1S,2R,4R,5R,7S,8R)-5-[(2,2-dimethylpropanoyl)oxy]-3,6-dioxotricyclo[6.2.1.02,7 ]undec-9-en-4-yl 2,2-dimethylpropanoate
Other name (1):
(2R)-2α,3β-Bis(pivaloyloxy)-5β,8β-methano-1,2,3,4,4aβ,5,8,8aβ-octahydronaphthalene-1,4-dione
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