Chem
J-GLOBAL ID：200907000248166401   Nikkaji number：J1.052.246C

Sideroxylonal B

シデロキシロナール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： C26H28O10
Molecular formula furigana： C26-H28-O10
Molecular weight： 500.500
InChI： InChI=1S/C26H28O10/c1-10(2)5-12-17(11(3)4)26(19-23(34)13(6-27)20(31)14(7-28)24(19)35)36-25-16(9-30)21(32)15(8-29)22(33)18(12)25/h6-12,17,26,31-35H,5H2,1-4H3/t12-,17-,26+/m0/s1
InChI key： PHQDMQGEKNBIPF-GKZOTJLQSA-N
SMILES： CC(C)C[C@H]1[C@H](C(C)C)[C@@H](Oc2c(C=O)c(O)c(C=O)c(O)c12)c1c(O)c(C=O)c(O)c(C=O)c1O
Systematic name  (3)：
  • (2R)-2β-(3,5-ジホルミル-2,4,6-トリヒドロキシフェニル)-3β-イソプロピル-4α-イソブチル-5,7-ジヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-6,8-ジカルボアルデヒド
  • (2R,3S,4S)-2-(3,5-ジホルミル-2,4,6-トリヒドロキシフェニル)-5,7-ジヒドロキシ-4-(2-メチルプロピル)-3-(プロパン-2-イル)-3,4-ジヒドロ-2H-1-ベンゾピラン-6,8-ジカルバルデヒド
  • (2R,3S,4S)-2-(3,5-diformyl-2,4,6-trihydroxyphenyl)-5,7-dihydroxy-4-(2-methylpropyl)-3-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-6,8-dicarbaldehyde
Other name (3)：
  • (2R)-2β-(3,5-Diformyl-2,4,6-trihydroxyphenyl)-3β-isopropyl-4α-isobutyl-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-6,8-dicarbaldehyde
  • シデロキシロナールB
  • Sideroxylonal B
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