Chem
J-GLOBAL ID：200907065679719399   Nikkaji number：J18.014I

6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def]-1,3-dioxepin-5,11-dione

6,12-ジヒドロキシ-8,9-ビス(2-ヒドロキシプロピル)-7,10-ジメトキシペリロ[1,12-def]-1,3-ジオキセピン-5,11-ジオン
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： C29H26O10
Molecular formula furigana： C29-H26-O10
Molecular weight： 534.517
InChI： InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-32,35H,5-6,9H2,1-4H3
InChI key： JWFLIMIGORGZMQ-UHFFFAOYSA-N
SMILES： COc1c(O)c2c3c(c1CC(C)O)c1C(=C(OC)C(=O)c4c(O)cc5OCOC(=CC2=O)c3c5c14)CC(C)O
Systematic name  (3)：
  • 6,12-ジヒドロキシ-8,9-ビス(2-ヒドロキシプロピル)-7,10-ジメトキシペリロ[1,12-def]-1,3-ジオキセピン-5,11-ジオン
  • 9,19-ジヒドロキシ-5,21-ビス(2-ヒドロキシプロピル)-6,20-ジメトキシ-12,14-ジオキサヘキサシクロ[13.8.0.02,11.03,8.04,22.018,23]トリコサ-1,3,5,8,10,15,18,20,22-ノナエン-7,17-ジオン
  • 9,19-dihydroxy-5,21-bis(2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3,5,8,10,15,18,20,22-nonaene-7,17-dione
Other name (1)：
  • 6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def]-1,3-dioxepin-5,11-dione
KEGG COMPOUND： C10309
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