Chem
J-GLOBAL ID:200907030893019819   Nikkaji number:J2.048.063G

3-O,5-O-Isopropylidene-8a,8b-seco-8-deoxy-8,8a-didehydrooleandolide

3-O,5-O-イソプロピリデン-8a,8b-セコ-8-デオキシ-8,8a-ジデヒドロオレアンドリド
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: C23H38O6
Molecular formula furigana: C23-H38-O6
Molecular weight: 410.551
InChI: InChI=1S/C23H38O6/c1-11-10-12(2)20-15(5)21(29-23(8,9)28-20)16(6)22(26)27-17(7)13(3)19(25)14(4)18(11)24/h12-17,19-21,25H,1,10H2,2-9H3/t12-,13-,14-,15+,16+,17+,19?,20-,21-/m0/s1
InChI key: SUOJFKMMIXRTRD-MNODHQCWSA-N
SMILES: C[C@@H]1[C@H]2OC(C)(C)O[C@@H]1[C@@H](C)C(=O)O[C@H](C)[C@H](C)C(O)[C@@H](C)C(=O)C(=C)C[C@@H]2C
Systematic name  (3):
  • 3-O,5-O-イソプロピリデン-8a,8b-セコ-8-デオキシ-8,8a-ジデヒドロオレアンドリド
  • (1S,2R,5R,6R,7S,8R,12S,13S,17R)-7-ヒドロキシ-2,5,6,8,12,15,15,17-オクタメチル-10-メチリデン-4,14,16-トリオキサビシクロ[11.3.1]ヘプタデカン-3,9-ジオン
  • (1S,2R,5R,6R,7S,8R,12S,13S,17R)-7-hydroxy-2,5,6,8,12,15,15,17-octamethyl-10-methylidene-4,14,16-trioxabicyclo[11.3.1]heptadecane-3,9-dione
Other name (1):
  • 3-O,5-O-Isopropylidene-8a,8b-seco-8-deoxy-8,8a-didehydrooleandolide
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