Chem
J-GLOBAL ID:201007094923818257
Nikkaji number:J2.780.247H
Deoxyanisatin
デオキシアニサチン
Download MOL file
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:
C15 H20 O7
Molecular formula furigana:
C15-H20-O7
Molecular weight:
312.318
InChI:
InChI=1S/C15H20O7/c1-7-3-8(16)15(20)13(7)4-9(22-10(17)5-13)12(2,19)14(15)6-21-11(14)18/h7-9,16,19-20H,3-6H2,1-2H3/t7-,8-,9?,12+,13-,14+,15-/m1/s1
InChI key:
LHLMFHLJVCWKPV-LOYGANHASA-N
SMILES:
C[C@@H]1C[C@@H](O)[C@]2(O)[C@]3(COC3=O)[C@@](C)(O)[C@H]3C[C@@]12CC(=O)O3
Systematic name (3):
(6S)-4,5,6a,7,8,9-ヘキサヒドロ-5α,6aα,7α-トリヒドロキシ-5,9β-ジメチルスピロ[6H-4α,9aα-メタノシクロペンタ[d]オキソシン-6,3′-オキセタン]-2,2′(1H)-ジオン
(1'R,2'R,3S,4'R,5'R,7'R,8'R)-4',5',7'-トリヒドロキシ-2',7'-ジメチル-9'-オキサスピロ[オキセタン-3,6'-トリシクロ[6.3.1.01,5 ]ドデカン]-4,10'-ジオン
(1'R,2'R,3S,4'R,5'R,7'R,8'R)-4',5',7'-trihydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.01,5 ]dodecane]-4,10'-dione
Other name (3):
(6S)-4,5,6a,7,8,9-Hexahydro-5α,6aα,7α-trihydroxy-5,9β-dimethylspiro[6H-4α,9aα-methanocyclopenta[d]oxocin-6,3′-oxetane]-2,2′(1H)-dione
Deoxyanisatin
デオキシアニサチン
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