Chem
J-GLOBAL ID:200907025167764722
Nikkaji number:J14.291C
NSC-92186
パレル酸
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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:
C18 H14 O8
Molecular formula furigana:
C18-H14-O8
Molecular weight:
358.302
InChI:
InChI=1S/C18H14O8/c1-7-4-11(20)10(6-19)15-13(7)18(23)26-14-8(2)12(24-3)5-9(17(21)22)16(14)25-15/h4-6,20H,1-3H3,(H,21,22)
InChI key:
FUCWJKJZOHOLEO-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C
Systematic name (5):
4-ホルミル-3-ヒドロキシ-8-メトキシ-1,9-ジメチル-11-オキソ-11H-ジベンゾ[b,e][1,4]ジオキセピン-6-カルボン酸
4-ホルミル-5-ヒドロキシ-7,12-ジメチル-9-オキソ-13-メトキシ-2,10-ジオキサトリシクロ[9.4.0.03,8 ]ペンタデカン-1(11),3,5,7,12,14-ヘキサエン-15-カルボン酸
5-オキソ-8-ホルミル-9-ヒドロキシ-11,12-ジメチル-13-メトキシ-2,3:6,7-ジ[1,3]ブタジエノ-5H-1,4-ジオキセピン-15-カルボン酸
15-ホルミル-14-ヒドロキシ-6-メトキシ-7,12-ジメチル-10-オキソ-2,9-ジオキサトリシクロ[9.4.0.03,8 ]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-4-カルボン酸
15-formyl-14-hydroxy-6-methoxy-7,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.03,8 ]pentadeca-1(15),3,5,7,11,13-hexaene-4-carboxylic acid
Other name (9):
パレル酸
プソロム酸
Parellic acid
Psoromic acid
プソロミン酸
4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-6-carboxylic acid
NSC-92186
4-Formyl-5-hydroxy-7,12-dimethyl-9-oxo-13-methoxy-2,10-dioxatricyclo[9.4.0.03,8 ]pentadecane-1(11),3,5,7,12,14-hexaene-15-carboxylic acid
5-Oxo-8-formyl-9-hydroxy-11,12-dimethyl-13-methoxy-2,3:6,7-di[1,3]butadieno-5H-1,4-dioxepin-15-carboxylic acid
Show all
CAS registry number:
7299-11-8
Regulation number (1):
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