Chem
J-GLOBAL ID：200907085228343124   Nikkaji number：J524.476E

(5R)-5β-[4-Hydroxy-3,5-dimethoxyphenyl]-9α-(3-dimethylamino-2-hydroxypropoxy)-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-(3-ジメチルアミノ-2-ヒドロキシプロポキシ)-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： C26H31NO9
Molecular formula furigana： C26-H31-N-O9
Molecular weight： 501.532
InChI： InChI=1S/C26H31NO9/c1-27(2)9-14(28)10-33-25-16-8-19-18(35-12-36-19)7-15(16)22(23-17(25)11-34-26(23)30)13-5-20(31-3)24(29)21(6-13)32-4/h5-8,14,17,22-23,25,28-29H,9-12H2,1-4H3/t14?,17-,22+,23-,25+/m0/s1
InChI key： FEZVHTVRASXNAH-ICVINRNFSA-N
SMILES： COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](OCC(O)CN(C)C)c2cc3OCOc3cc12
Systematic name  (3)：
  • (5R)-5β-[4-ヒドロキシ-3,5-ジメトキシフェニル]-9α-(3-ジメチルアミノ-2-ヒドロキシプロポキシ)-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)-16-[3-(ジメチルアミノ)-2-ヒドロキシプロポキシ]-10-(4-ヒドロキシ-3,5-ジメトキシフェニル)-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)-16-[3-(dimethylamino)-2-hydroxypropoxy]-10-(4-hydroxy-3,5-dimethoxyphenyl)-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-(3-dimethylamino-2-hydroxypropoxy)-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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