Chem
J-GLOBAL ID：200907091485314534   Nikkaji number：J710.368I

Morellin dimethyl acetal

モレリンジメチルアセタール
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： C35H42O8
Molecular formula furigana： C35-H42-O8
Molecular weight： 590.713
InChI： InChI=1S/C35H42O8/c1-18(2)10-11-22-28-21(13-14-32(4,5)41-28)26(36)25-27(37)23-16-20-17-24-33(6,7)43-34(30(20)38,35(23,24)42-29(22)25)15-12-19(3)31(39-8)40-9/h10,12-14,16,20,24,31,36H,11,15,17H2,1-9H3/b19-12-/t20-,24+,34+,35-/m1/s1
InChI key： AJLGRJVSWSANNB-BBLQHHSKSA-N
SMILES： COC(OC)/C(=C\C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)c6C=CC(C)(C)Oc6c(CC=C(C)C)c5O[C@@]134)C2=O)/C
Systematic name  (3)：
  • (1R,14aS)-3,3aβ,4,5-テトラヒドロ-8-ヒドロキシ-3,3,11,11-テトラメチル-1-[(Z)-4,4-ジメトキシ-3-メチル-2-ブテニル]-13-(3-メチル-2-ブテニル)-1α,5α-メタノ-7H,11H-フロ[3,4-g]ピラノ[3,2-b]キサンテン-7,15-ジオン
  • (1S,2S,17S,19R)-19-[(2Z)-4,4-ジメトキシ-3-メチルブタ-2-エン-1-イル]-12-ヒドロキシ-8,8,21,21-テトラメチル-5-(3-メチルブタ-2-エン-1-イル)-3,7,20-トリオキサヘキサシクロ[15.4.1.02,15.02,19.04,13.06,11]ドコサ-4,6(11),9,12,15-ペンタエン-14,18-ジオン
  • (1S,2S,17S,19R)-19-[(2Z)-4,4-dimethoxy-3-methylbut-2-en-1-yl]-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaene-14,18-dione
Other name (3)：
  • モレリンジメチルアセタール
  • Morellin dimethyl acetal
  • (1R,14aS)-3,3aβ,4,5-Tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-1-[(Z)-4,4-dimethoxy-3-methyl-2-butenyl]-13-(3-methyl-2-butenyl)-1α,5α-methano-7H,11H-furo[3,4-g]pyrano[3,2-b]xanthene-7,15-dione
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