Chem
J-GLOBAL ID：200907071518285992   Nikkaji number：J884.416J

Brazilein

ブラジレイン
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： C16H12O5
Molecular formula furigana： C16-H12-O5
Molecular weight： 284.267
InChI： InChI=1S/C16H12O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,17,19-20H,6-7H2
InChI key： MLWIYODOURBGPI-UHFFFAOYSA-N
SMILES： OC1=CC2=C3c4ccc(O)cc4OCC3(O)CC2=CC1=O
Systematic name  (4)：
  • 6a,7-ジヒドロ-3,6a,10-トリヒドロキシベンゾ[b]インデノ[1,2-d]ピラン-9(6H)-オン
  • 3,6a,10-トリヒドロキシ-6,6a-ジヒドロベンゾ[b]インデノ[1,2-d]ピラン-9(7H)-オン
  • 5,10,15-トリヒドロキシ-8-オキサテトラシクロ[8.7.0.02,7.012,17]ヘプタデカ-1(17),2,4,6,12,15-ヘキサエン-14-オン
  • 5,10,15-trihydroxy-8-oxatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,12,15-hexaen-14-one
Other name (4)：
  • ブラジレイン
  • Brazilein
  • 6a,7-Dihydro-3,6a,10-trihydroxybenz[b]indeno[1,2-d]pyran-9(6H)-one
  • 3,6a,10-Trihydroxy-6,6a-dihydrobenzo[b]indeno[1,2-d]pyran-9(7H)-one
CAS registry number： 600-76-0
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