Chem
J-GLOBAL ID：200907091297694060   Nikkaji number：J39.887J

Lupane

ルパン
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： C30H52
Molecular formula furigana： C30-H52
Molecular weight： 412.746
InChI： InChI=1S/C30H52/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t21-,22+,23-,24+,25+,27+,28-,29+,30+/m0/s1
InChI key： NKMDIWKRKQFYPH-VIUFNMEASA-N
SMILES： CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Systematic name  (4)：
  • 5α-ルパン
  • ルパン
  • (1S,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-ヘキサメチル-1-(プロパン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン
  • (1S,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(propan-2-yl)-icosahydro-1H-cyclopenta[a]chrysene
Other name (2)：
  • Lupane
  • 5α-Lupane
CAS registry number： 464-99-3
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