Chem
J-GLOBAL ID：200907089569381852   Nikkaji number：J12.030H

Hopane

ホパン
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)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h20-25H,9-19H2,1-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChI key： ZRLNBWWGLOPJIC-PYQRSULMSA-N
SMILES： CC(C)[C@H]1CC[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  (5)：
  • A′-ネオ-5α-ガンマセラン
  • A′-ネオガンマセラン
  • ホパン
  • (3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-ヘキサメチル-3-(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
  • (3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-(propan-2-yl)-icosahydro-1H-cyclopenta[a]chrysene
Other name (3)：
  • Hopane
  • A′-Neo-5α-gammacerane
  • A′-Neogammacerane
CAS registry number： 471-62-5
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