Chem
J-GLOBAL ID：200907049590654999   Nikkaji number：J39.500E

Ursane

ウルサン
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/c1-20-12-16-27(5)18-19-29(7)22(25(27)21(20)2)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/t20-,21+,22-,23+,24-,25+,27-,28+,29-,30-/m1/s1
InChI key： OOTXFYSZXCPMPG-BMYLZFHVSA-N
SMILES： 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]2[C@H]1C
Systematic name  (4)：
  • 5α-ウルサン
  • ウルサン
  • (1S,2R,4aR,6aR,6bR,8aS,12aS,12bR,14aR,14bS)-1,2,4a,6a,6b,9,9,12a-オクタメチル-ドコサヒドロピセン
  • (1S,2R,4aR,6aR,6bR,8aS,12aS,12bR,14aR,14bS)-1,2,4a,6a,6b,9,9,12a-octamethyl-docosahydropicene
Other name (2)：
  • 5α-Ursane
  • Ursane
CAS registry number： 464-93-7
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