Chem
J-GLOBAL ID：200907052333782561   Nikkaji number：J524.474I

(5R)-5β-[4-Hydroxy-3,5-dimethoxyphenyl]-9α-(2,3,4-trihydroxybutoxy)-5,8,8aβ,9-tetrahydrofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aαH)-one

(5R)-5β-[4-ヒドロキシ-3,5-ジメトキシフェニル]-9α-(2,3,4-トリヒドロキシブトキシ)-5,8,8aβ,9-テトラヒドロフロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6(5aαH)-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： C25H28O11
Molecular formula furigana： C25-H28-O11
Molecular weight： 504.488
InChI： InChI=1S/C25H28O11/c1-31-19-3-11(4-20(32-2)23(19)29)21-12-5-17-18(36-10-35-17)6-13(12)24(14-8-34-25(30)22(14)21)33-9-16(28)15(27)7-26/h3-6,14-16,21-22,24,26-29H,7-10H2,1-2H3/t14-,15?,16?,21+,22-,24+/m0/s1
InChI key： UQTLCWVPMHCCDL-RFVWJJJJSA-N
SMILES： COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](OCC(O)C(O)CO)c2cc3OCOc3cc12
Systematic name  (3)：
  • (5R)-5β-[4-ヒドロキシ-3,5-ジメトキシフェニル]-9α-(2,3,4-トリヒドロキシブトキシ)-5,8,8aβ,9-テトラヒドロフロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6(5aαH)-オン
  • (10R,11R,15R,16S)-10-(4-ヒドロキシ-3,5-ジメトキシフェニル)-16-(2,3,4-トリヒドロキシブトキシ)-4,6,13-トリオキサテトラシクロ[7.7.0.03,7.011,15]ヘキサデカ-1,3(7),8-トリエン-12-オン
  • (10R,11R,15R,16S)-10-(4-hydroxy-3,5-dimethoxyphenyl)-16-(2,3,4-trihydroxybutoxy)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one
Other name (1)：
  • (5R)-5β-[4-Hydroxy-3,5-dimethoxyphenyl]-9α-(2,3,4-trihydroxybutoxy)-5,8,8aβ,9-tetrahydrofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aαH)-one
Thsaurus map：
Thesaurus Map

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