Chem
J-GLOBAL ID:200907008271898569   Nikkaji number:J1.808.102D

30-(2-Amino-3-phenylpropionylamino)lupa-20(29)-ene-3β-ol 3-(5-amino-5-oxovalerate)

30-(2-アミノ-3-フェニルプロピオニルアミノ)ルパ-20(29)-エン-3β-オール3-(5-アミノ-5-オキソバレラート)
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: C44H67N3O4
Molecular formula furigana: C44-H67-N3-O4
Molecular weight: 702.037
InChI: InChI=1S/C44H67N3O4/c1-28(27-47-39(50)32(45)26-29-12-9-8-10-13-29)30-18-21-41(4)24-25-43(6)31(38(30)41)16-17-34-42(5)22-20-35(51-37(49)15-11-14-36(46)48)40(2,3)33(42)19-23-44(34,43)7/h8-10,12-13,30-35,38H,1,11,14-27,45H2,2-7H3,(H2,46,48)(H,47,50)/t30-,31+,32?,33-,34+,35-,38+,41+,42-,43+,44+/m0/s1
InChI key: MRIHYDMSOJMOIR-FAQAWZLTSA-N
SMILES: C[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCCC(=O)N)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)CNC(=O)C(N)Cc1ccccc1
Systematic name  (3):
  • 30-(2-アミノ-3-フェニルプロピオニルアミノ)ルパ-20(29)-エン-3β-オール3-(5-アミノ-5-オキソバレラート)
  • (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-[3-(2-アミノ-3-フェニルプロパンアミド)プロパ-1-エン-2-イル]-3a,5a,5b,8,8,11a-ヘキサメチル-イコサヒドロ-1H-シクロペンタ[a]クリセン-9-イル 4-カルバモイルブタノアート
  • (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-[3-(2-amino-3-phenylpropanamido)prop-1-en-2-yl]-3a,5a,5b,8,8,11a-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-9-yl 4-carbamoylbutanoate
Other name (1):
  • 30-(2-Amino-3-phenylpropionylamino)lupa-20(29)-ene-3β-ol 3-(5-amino-5-oxovalerate)
Thsaurus map:

Return to Previous Page