Chem
J-GLOBAL ID：200907078534001907   Nikkaji number：J14.509B

Ebelin lactone

エベリンラクトン
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： C30H46O3
Molecular formula furigana： C30-H46-O3
Molecular weight： 454.695
InChI： InChI=1S/C30H46O3/c1-20(2)9-8-10-21(3)17-22-11-12-24-28(6)15-14-25(31)27(4,5)23(28)13-16-29(24,7)30(22)18-26(32)33-19-30/h8-10,17,22-25,31H,11-16,18-19H2,1-7H3/b10-8+,21-17+/t22-,23+,24-,25+,28+,29-,30+/m1/s1
InChI key： TUWRBFMVJOJFCL-SZGKVTBMSA-N
SMILES： CC(=C/C=C/C(=C/[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]21COC(=O)C2)/C)C
Systematic name  (3)：
  • (17E,22E)-3β,30-ジヒドロキシ-16,17-セコ-5α-ダンマラ-17(20),22,24-トリエン-16-酸γ-ラクトン
  • (2'R,3S,4'aR,4'bR,7'S,8'aR,10'aR)-2'-[(1E,3E)-2,6-ジメチルヘプタ-1,3,5-トリエン-1-イル]-7'-ヒドロキシ-4'b,8',8',10'a-テトラメチル-ドデカヒドロ-2'H-スピロ[オキソラン-3,1'-フェナントレン]-5-オン
  • (2'R,3S,4'aR,4'bR,7'S,8'aR,10'aR)-2'-[(1E,3E)-2,6-dimethylhepta-1,3,5-trien-1-yl]-7'-hydroxy-4'b,8',8',10'a-tetramethyl-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthren]-5-one
Other name (5)：
  • エベリンラクトン
  • Ebelin lactone
  • (17E,22E)-3β,30-Dihydroxy-16,17-seco-5α-dammara-17(20),22,24-trien-16-oic acid γ-lactone
  • trans-エベリンラクトン
  • trans-Ebelin lactone
CAS registry number： 3649-76-1
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