Chem
J-GLOBAL ID:200907030826228292   Nikkaji number:J72.642G

3β-[(R)-2-Aminobutyryloxy]-14-hydroxy-5β-card-20(22)-enolide

3β-[(R)-2-アミノブチリルオキシ]-14-ヒドロキシ-5β-カルダ-20(22)-エノリド
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: C27H41NO5
Molecular formula furigana: C27-H41-N-O5
Molecular weight: 459.627
InChI: InChI=1S/C27H41NO5/c1-4-22(28)24(30)33-18-7-10-25(2)17(14-18)5-6-21-20(25)8-11-26(3)19(9-12-27(21,26)31)16-13-23(29)32-15-16/h13,17-22,31H,4-12,14-15,28H2,1-3H3/t17-,18+,19-,20+,21-,22-,25+,26-,27+/m1/s1
InChI key: FGDUPFDTXRVJPO-UAKZRFPTSA-N
SMILES: CC[C@@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1
Systematic name  (3):
  • 3β-[(R)-2-アミノブチリルオキシ]-14-ヒドロキシ-5β-カルダ-20(22)-エノリド
  • (1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-ヒドロキシ-9a,11a-ジメチル-1-(5-オキソ-2,5-ジヒドロフラン-3-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル (2R)-2-アミノブタノアート
  • (1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl (2R)-2-aminobutanoate
Other name (1):
  • 3β-[(R)-2-Aminobutyryloxy]-14-hydroxy-5β-card-20(22)-enolide
Regulation number (1):
  • FH4975200
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