Chem
J-GLOBAL ID:200907004928838647
Nikkaji number:J1.178.044J
3β-Hydroxy-8-methyl-9-chloro-3,4-dihydro-2H,10H-pyrano[2,3-g]-1,5-benzodioxepin-10-one
(3S)-9-クロロ-3-ヒドロキシ-8-メチル-2H,3H,4H,10H-[1,4]ジオキセピノ[2,3-h]クロメン-10-オン
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:
C13 H11 ClO5
Molecular formula furigana:
C13-H11-CL-O5
Molecular weight:
282.680
InChI:
InChI=1S/C13H11ClO5/c1-6-8-2-3-9-12(18-5-7(15)4-17-9)11(8)19-13(16)10(6)14/h2-3,7,15H,4-5H2,1H3/t7-/m0/s1
InChI key:
BRVFHIPTKWEQCR-ZETCQYMHSA-N
SMILES:
Cc1c(Cl)c(=O)oc2c3OC[C@@H](O)COc3ccc12
Systematic name (3):
3β-ヒドロキシ-8-メチル-9-クロロ-3,4-ジヒドロ-2H,10H-ピラノ[2,3-g]-1,5-ベンゾジオキセピン-10-オン
(3S)-9-クロロ-3-ヒドロキシ-8-メチル-2H,3H,4H,10H-[1,4]ジオキセピノ[2,3-h]クロメン-10-オン
(3S)-9-chloro-3-hydroxy-8-methyl-2H,3H,4H,10H-[1,4]dioxepino[2,3-h]chromen-10-one
Other name (1):
3β-Hydroxy-8-methyl-9-chloro-3,4-dihydro-2H,10H-pyrano[2,3-g]-1,5-benzodioxepin-10-one
Thsaurus map:
Return to Previous Page