Chem
J-GLOBAL ID：200907012746804022   Nikkaji number：J1.755.602I

28-(Trityloxy)lupa-20(29)-ene-3-one

28-(トリチルオキシ)ルパ-20(29)-エン-3-オン
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： C49H62O2
Molecular formula furigana： C49-H62-O2
Molecular weight： 683.033
InChI： InChI=1S/C49H62O2/c1-34(2)38-25-30-48(33-51-49(35-17-11-8-12-18-35,36-19-13-9-14-20-36)37-21-15-10-16-22-37)32-31-46(6)39(43(38)48)23-24-41-45(5)28-27-42(50)44(3,4)40(45)26-29-47(41,46)7/h8-22,38-41,43H,1,23-33H2,2-7H3/t38-,39+,40-,41+,43+,45-,46+,47+,48+/m0/s1
InChI key： FAKNNIHNJFOMLX-FDNCXTRQSA-N
SMILES： CC(=C)[C@@H]1CC[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)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
Systematic name  (3)：
  • 28-(トリチルオキシ)ルパ-20(29)-エン-3-オン
  • (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-ペンタメチル-1-(プロパ-1-エン-2-イル)-3a-[(トリフェニルメトキシ)メチル]-イコサヒドロ-1H-シクロペンタ[a]クリセン-9-オン
  • (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-3a-[(triphenylmethoxy)methyl]-icosahydro-1H-cyclopenta[a]chrysen-9-one
Other name (1)：
  • 28-(Trityloxy)lupa-20(29)-ene-3-one
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