Chem
J-GLOBAL ID：200907073377176658   Nikkaji number：J1.330.057G

3-Oxolupa-20(29)-ene-28-oic acid 4-morpholinecarboxylic anhydride

3-オキソルパ-20(29)-エン-28-酸4-モルホリンカルボン酸無水物
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： C35H53NO5
Molecular formula furigana： C35-H53-N-O5
Molecular weight： 567.811
InChI： InChI=1S/C35H53NO5/c1-22(2)23-10-15-35(29(38)41-30(39)36-18-20-40-21-19-36)17-16-33(6)24(28(23)35)8-9-26-32(5)13-12-27(37)31(3,4)25(32)11-14-34(26,33)7/h23-26,28H,1,8-21H2,2-7H3/t23-,24+,25-,26+,28+,32-,33+,34+,35-/m0/s1
InChI key： AQEQMPMNQUEWLO-HTHRIKDPSA-N
SMILES： CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OC(=O)N1CCOCC1
Systematic name  (3)：
  • 3-オキソルパ-20(29)-エン-28-酸4-モルホリンカルボン酸無水物
  • (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-ペンタメチル-9-オキソ-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-3a-カルボニル モルホリン-4-カルボキシラート
  • (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carbonyl morpholine-4-carboxylate
Other name (1)：
  • 3-Oxolupa-20(29)-ene-28-oic acid 4-morpholinecarboxylic anhydride
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