Chem
J-GLOBAL ID：200907052568065514   Nikkaji number：J1.452.292A

(3R,3aS,9R,9aS,9bR)-2,3,3a,9,9a,9b-Hexahydro-3-hydroxy-3,9-dimethyl-9-(4-methyl-3-pentenyl)-1H-benzofuro[4,3,2-cde][1]benzopyran-5,6-dicarbaldehyde

(3R,3aS,9R,9aS,9bR)-2,3,3a,9,9a,9b-ヘキサヒドロ-3-ヒドロキシ-3,9-ジメチル-9-(4-メチル-3-ペンテニル)-1H-ベンゾフロ[4,3,2-cde][1]ベンゾピラン-5,6-ジカルボアルデヒド
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： C23H28O5
Molecular formula furigana： C23-H28-O5
Molecular weight： 384.472
InChI： InChI=1S/C23H28O5/c1-13(2)6-5-8-23(4)16-7-9-22(3,26)21-18(16)19-17(28-23)10-14(11-24)15(12-25)20(19)27-21/h6,10-12,16,18,21,26H,5,7-9H2,1-4H3/t16-,18+,21-,22+,23+/m0/s1
InChI key： JBVANMOFCVQYLP-QZWSAVPRSA-N
SMILES： CC(=CCC[C@@]1(C)Oc2cc(C=O)c(C=O)c3O[C@H]4[C@H]([C@@H]1CC[C@@]4(C)O)c23)C
Systematic name  (3)：
  • (3R,3aS,9R,9aS,9bR)-2,3,3a,9,9a,9b-ヘキサヒドロ-3-ヒドロキシ-3,9-ジメチル-9-(4-メチル-3-ペンテニル)-1H-ベンゾフロ[4,3,2-cde][1]ベンゾピラン-5,6-ジカルボアルデヒド
  • (7R,8S,11R,12S,13R)-11-ヒドロキシ-7,11-ジメチル-7-(4-メチルペンタ-3-エン-1-イル)-6,15-ジオキサテトラシクロ[10.2.1.05,14.08,13]ペンタデカ-1(14),2,4-トリエン-2,3-ジカルバルデヒド
  • (7R,8S,11R,12S,13R)-11-hydroxy-7,11-dimethyl-7-(4-methylpent-3-en-1-yl)-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4-triene-2,3-dicarbaldehyde
Other name (1)：
  • (3R,3aS,9R,9aS,9bR)-2,3,3a,9,9a,9b-Hexahydro-3-hydroxy-3,9-dimethyl-9-(4-methyl-3-pentenyl)-1H-benzofuro[4,3,2-cde][1]benzopyran-5,6-dicarbaldehyde
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