Chem
J-GLOBAL ID：200907073623207908   Nikkaji number：J1.330.056I

3α-(3,3-Dimethyl-5-oxo-5-hydroxyvalerylamino)lupa-20(29)-ene-28-oic acid methyl ester

3α-(3,3-ジメチル-5-オキソ-5-ヒドロキシバレリルアミノ)ルパ-20(29)-エン-28-酸メチル
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： C38H61NO5
Molecular formula furigana： C38-H61-N-O5
Molecular weight： 611.908
InChI： InChI=1S/C38H61NO5/c1-23(2)24-13-18-38(32(43)44-10)20-19-36(8)25(31(24)38)11-12-27-35(7)16-15-28(34(5,6)26(35)14-17-37(27,36)9)39-29(40)21-33(3,4)22-30(41)42/h24-28,31H,1,11-22H2,2-10H3,(H,39,40)(H,41,42)/t24-,25+,26-,27+,28+,31+,35-,36+,37+,38-/m0/s1
InChI key： WVLZIRPGVXSWAC-HBRSBVGPSA-N
SMILES： COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@@H](NC(=O)CC(C)(C)CC(=O)O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)C
Systematic name  (3)：
  • 3α-(3,3-ジメチル-5-オキソ-5-ヒドロキシバレリルアミノ)ルパ-20(29)-エン-28-酸メチル
  • 4-{[(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a-(メトキシカルボニル)-5a,5b,8,8,11a-ペンタメチル-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-9-イル]カルバモイル}-3,3-ジメチルブタン酸
  • 4-{[(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a-(methoxycarbonyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl]carbamoyl}-3,3-dimethylbutanoic acid
Other name (1)：
  • 3α-(3,3-Dimethyl-5-oxo-5-hydroxyvalerylamino)lupa-20(29)-ene-28-oic acid methyl ester
Thsaurus map：
Thesaurus Map

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