Chem
J-GLOBAL ID：200907042090616930   Nikkaji number：J17.048H

Gammacerane

ガンマセラン
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/c1-25(2)15-9-17-27(5)21(25)13-19-29(7)23(27)11-12-24-28(6)18-10-16-26(3,4)22(28)14-20-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22-,23+,24+,27-,28-,29+,30+/m0/s1
InChI key： QDUDLLAGYKHBNK-QPYQYMOUSA-N
SMILES： CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C
Systematic name  (4)：
  • 5α-ガンマセラン
  • ガンマセラン
  • (4aS,6aR,6bR,8aS,12aS,12bR,14aR,14bS)-4,4,6a,6b,9,9,12a,14b-オクタメチル-ドコサヒドロピセン
  • (4aS,6aR,6bR,8aS,12aS,12bR,14aR,14bS)-4,4,6a,6b,9,9,12a,14b-octamethyl-docosahydropicene
Other name (2)：
  • Gammacerane
  • 5α-Gammacerane
CAS registry number： 559-65-9
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