Chem
J-GLOBAL ID：200907084319112447   Nikkaji number：J19.017I

(17α,21β)-Hopane

(17α,21β)-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+/m0/s1
InChI key： ZRLNBWWGLOPJIC-VMWSQYRBSA-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  (4)：
  • (17α,21β)-ホパン
  • (17α,21β)-A′-ネオガンマセラン
  • (3S,3aR,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
  • (3S,3aR,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 (4)：
  • 17α-モレタン
  • 17α-Moretane
  • (17α,21β)-A′-Neogammacerane
  • (17α,21β)-Hopane
CAS registry number： 33281-23-1
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