Chem
J-GLOBAL ID：200907017829846918   Nikkaji number：J1.465.658H

Licoagrodin

リコアグロジン
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： C45H44O9
Molecular formula furigana： C45-H44-O9
Molecular weight： 728.838
InChI： InChI=1S/C45H44O9/c1-23(2)7-10-26-19-28(12-17-34(26)47)45-40(41(50)32-20-27(11-8-24(3)4)36(49)22-38(32)53-45)39-31-15-13-29(46)21-37(31)51-43-44(39,54-45)33-16-18-35(48)30(42(33)52-43)14-9-25(5)6/h7-9,12-13,15-22,39-40,43,46-49H,10-11,14H2,1-6H3/t39-,40-,43-,44+,45-/m1/s1
InChI key： IUNNUKJWKPJUCQ-AHJAKLPMSA-N
SMILES： CC(=CCc1cc(ccc1O)[C@@]12O[C@@]34[C@@H](Oc5c3ccc(O)c5CC=C(C)C)Oc3cc(O)ccc3[C@@H]4[C@@H]1C(=O)c1cc(CC=C(C)C)c(O)cc1O2)C
Systematic name  (3)：
  • (3aα,6aβ,11aR)-6bβ,10a-ジヒドロ-13,18,21-トリヒドロキシ-10aβ-(4-ヒドロキシ-3-プレニルフェニル)-14,20-ジプレニル-1,2:5,6:8,9-トリス[1,3]ブタジエノ-3aH,6aH,7H-3,4,10,11-テトラオキサ-3H-シクロペンタ[j]フルオレン-7-オン
  • (1R,9R,17S,18R,27S)-5,13,23-トリヒドロキシ-27-[4-ヒドロキシ-3-(3-メチルブタ-2-エン-1-イル)フェニル]-6,22-ビス(3-メチルブタ-2-エン-1-イル)-8,10,26,28-テトラオキサヘプタシクロ[15.11.0.01,9.02,7.011,16.018,27.020,25]オクタコサ-2(7),3,5,11,13,15,20,22,24-ノナエン-19-オン
  • (1R,9R,17S,18R,27S)-5,13,23-trihydroxy-27-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6,22-bis(3-methylbut-2-en-1-yl)-8,10,26,28-tetraoxaheptacyclo[15.11.0.01,9.02,7.011,16.018,27.020,25]octacosa-2(7),3,5,11,13,15,20,22,24-nonaen-19-one
Other name (3)：
  • (3aα,6aβ,11aR)-6bβ,10a-Dihydro-13,18,21-trihydroxy-10aβ-(4-hydroxy-3-prenylphenyl)-14,20-diprenyl-1,2:5,6:8,9-tris[1,3]butadieno-3aH,6aH,7H-3,4,10,11-tetraoxa-3H-cyclopenta[j]fluorene-7-one
  • リコアグロジン
  • Licoagrodin
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