Chem
J-GLOBAL ID:200907009777403254   Nikkaji number:J1.955.437F

21-Oxo-23ξ-hydroxy-21,23-dihydroveprisone

21-オキソ-23ξ-ヒドロキシ-21,23-ジヒドロベプリソン
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: C27H34O10
Molecular formula furigana: C27-H34-O10
Molecular weight: 518.558
InChI: InChI=1S/C27H34O10/c1-23(2)14-10-15(28)26(5)13(25(14,4)16(36-23)11-17(29)33-6)7-8-24(3)19(12-9-18(30)34-21(12)31)35-22(32)20-27(24,26)37-20/h9,13-14,16,18-20,30H,7-8,10-11H2,1-6H3/t13-,14+,16+,18?,19+,20-,24+,25-,26+,27-/m1/s1
InChI key: MPOSPKCQQCHOJZ-AUNBPNQPSA-N
SMILES: COC(=O)C[C@@H]1OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=CC(O)OC3=O)[C@@]12C
Systematic name  (3):
  • 2-デカルボキシ-2-(メトキシカルボニル)-19-デオキシ-21,23-ジヒドロ-23ξ-ヒドロキシ-21-オキソリモン酸16,17-ラクトン
  • メチル 2-[(1R,2R,4S,7R,8S,11R,12R,13S,16R)-7-(5-ヒドロキシ-2-オキソ-2,5-ジヒドロフラン-3-イル)-1,8,12,15,15-ペンタメチル-5,18-ジオキソ-3,6,14-トリオキサペンタシクロ[9.7.0.02,4.02,8.012,16]オクタデカン-13-イル]アセタート
  • methyl 2-[(1R,2R,4S,7R,8S,11R,12R,13S,16R)-7-(5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl)-1,8,12,15,15-pentamethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-13-yl]acetate
Other name (3):
  • 2-Decarboxy-2-(methoxycarbonyl)-19-deoxy-21,23-dihydro-23ξ-hydroxy-21-oxolimonoic acid 16,17-lactone
  • 21-オキソ-23ξ-ヒドロキシ-21,23-ジヒドロベプリソン
  • 21-Oxo-23ξ-hydroxy-21,23-dihydroveprisone
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