Chem
J-GLOBAL ID：200907031066064908   Nikkaji number：J492.825C

Cassigarol B

カッシガロールB
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： C21H16O6
Molecular formula furigana： C21-H16-O6
Molecular weight： 364.353
InChI： InChI=1S/C21H16O6/c22-9-1-8-2-11-12-6-15(24)16(25)7-14(12)21(19(8)17(26)4-9)20-13(11)3-10(23)5-18(20)27/h1,3-7,11,21-27H,2H2
InChI key： DTDMMBJTUPNCEV-UHFFFAOYSA-N
SMILES： Oc1cc(O)c2C3c4cc(O)c(O)cc4C(Cc2c1)c1cc(O)cc(O)c31
Systematic name  (3)：
  • 10,11-ジヒドロ-5,11-[1,2]ベンゼノ-5H-ジベンゾ[a,d]シクロヘプテン-2,3,6,8,14,16-ヘキサオール
  • ペンタシクロ[7.6.6.02,7.010,15.016,21]ヘンイコサ-2,4,6,10,12,14,16,18,20-ノナエン-3,5,12,13,17,19-ヘキサオール
  • pentacyclo[7.6.6.02,7.010,15.016,21]henicosa-2,4,6,10,12,14,16,18,20-nonaene-3,5,12,13,17,19-hexol
Other name (3)：
  • カッシガロールB
  • Cassigarol B
  • 10,11-Dihydro-5,11-[1,2]benzeno-5H-dibenzo[a,d]cycloheptene-2,3,6,8,14,16-hexol
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