Chem
J-GLOBAL ID：200907042913964572   Nikkaji number：J865.850A

Regeol A

レゲオールA
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： C28H40O4
Molecular formula furigana： C28-H40-O4
Molecular weight： 440.624
InChI： InChI=1S/C28H40O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h14-15,20-21,24,29,31-32H,7-13H2,1-6H3/t15-,20+,21-,24-,25+,26-,27-,28+/m1/s1
InChI key： FKARAOWYAAUAFW-MGRBCSRPSA-N
SMILES： C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)[C@H]4CCc5c(C)c(O)c(O)cc5[C@]4(C)CC[C@@]23C)[C@H](O)C1=O
Systematic name  (3)：
  • 2,3,22β-トリヒドロキシ-24,29-ジノルフリーデラ-1(10),2,4-トリエン-21-オン
  • (2R,4S,4aR,6aR,6bR,12bR,14aS,14bS)-4,10,11-トリヒドロキシ-2,4a,6a,9,12b,14a-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,12b,13,14,14a,14b-ヘキサデカヒドロピセン-3-オン
  • (2R,4S,4aR,6aR,6bR,12bR,14aS,14bS)-4,10,11-trihydroxy-2,4a,6a,9,12b,14a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,12b,13,14,14a,14b-hexadecahydropicen-3-one
Other name (3)：
  • レゲオールA
  • Regeol A
  • 2,3,22β-Trihydroxy-24,29-dinorfriedela-1(10),2,4-trien-21-one
Thsaurus map：
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