Chem
J-GLOBAL ID：200907042225521055   Nikkaji number：J2.159.190D

6-Oxoisoiguesterin

6-オキソイソイグエステリン
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： C28H36O3
Molecular formula furigana： C28-H36-O3
Molecular weight： 420.593
InChI： InChI=1S/C28H36O3/c1-16-7-8-25(3)9-11-28(6)22-15-19(29)23-17(2)24(31)20(30)14-18(23)26(22,4)10-12-27(28,5)21(25)13-16/h14-15,21,30-31H,1,7-13H2,2-6H3/t21-,25-,26+,27+,28-/m1/s1
InChI key： XVIQCCFXDXUXNE-JPJACQMESA-N
SMILES： Cc1c(O)c(O)cc2c1C(=O)C=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(=C)CC[C@]3(C)CC[C@]12C
Systematic name  (3)：
  • 2,3-ジヒドロキシ-24,29-ジノルフリーデラ-1,3,5(10),7,20(30)-ペンタエン-6-オン
  • (6bS,8aR,12aR,12bS,14aR)-2,3-ジヒドロキシ-4,6b,8a,12b,14a-ペンタメチル-11-メチリデン-5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-テトラデカヒドロピセン-5-オン
  • (6bS,8aR,12aR,12bS,14aR)-2,3-dihydroxy-4,6b,8a,12b,14a-pentamethyl-11-methylidene-5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-tetradecahydropicen-5-one
Other name (3)：
  • 2,3-Dihydroxy-24,29-dinorfriedela-1,3,5(10),7,20(30)-pentene-6-one
  • 6-Oxoisoiguesterin
  • 6-オキソイソイグエステリン
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