Chem
J-GLOBAL ID：200907093482586552   Nikkaji number：J2.570.913F

Ekeberin A

エケベリン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： C30H48O3
Molecular formula furigana： C30-H48-O3
Molecular weight： 456.711
InChI： InChI=1S/C30H48O3/c1-19(2)30-17-16-29(18-32-30)15-14-27(6)20(24(29)33-30)8-9-22-26(5)12-11-23(31)25(3,4)21(26)10-13-28(22,27)7/h19-22,24H,8-18H2,1-7H3/t20-,21+,22-,24+,26+,27-,28-,29+,30+/m1/s1
InChI key： KPGLSDWWUAAHSQ-VDLWMDHTSA-N
SMILES： CC(C)[C@]12CC[C@@]3(CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]45C)[C@@H]3O1)CO2
Systematic name  (3)：
  • 20,28-エポキシ-20α-イソプロピル-29,30-ジノル-19-オキサオレアナン-3-オン
  • (1S,4R,5R,8R,13R,14R,17S,18S,20S)-4,5,9,9,13-ペンタメチル-20-(プロパン-2-イル)-19,21-ジオキサヘキサシクロ[18.2.2.01,18.04,17.05,14.08,13]テトラコサン-10-オン
  • (1S,4R,5R,8R,13R,14R,17S,18S,20S)-4,5,9,9,13-pentamethyl-20-(propan-2-yl)-19,21-dioxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosan-10-one
Other name (3)：
  • 20,28-Epoxy-20α-isopropyl-29,30-dinor-19-oxaoleanane-3-one
  • エケベリンA
  • Ekeberin A
Thsaurus map：
Thesaurus Map

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