Chem
J-GLOBAL ID：200907066295220334   Nikkaji number：J15.852F

Hopene II

ホペンII
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： C30H50
Molecular formula furigana： C30-H50
Molecular weight： 410.730
InChI： InChI=1S/C30H50/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h20-21,24-25H,9-19H2,1-8H3/t21-,24+,25-,27-,28+,29-,30-/m1/s1
InChI key： WGNURPYJZZHCBQ-ZNABNZNXSA-N
SMILES： CC(C)[C@H]1CCC2=C3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]12C
Systematic name  (5)：
  • B′:A′-ネオ-5α-ガンマセラ-13(18)-エン
  • B′:A′-ネオガンマセラ-13(18)-エン
  • (17R)-17-メチル-28-ノル-5α-ホパ-13(18)-エン
  • (3R,3aR,5aS,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-ヘキサメチル-3-(プロパン-2-イル)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13H-シクロペンタ[a]クリセン
  • (3R,3aR,5aS,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-(propan-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13H-cyclopenta[a]chrysene
Other name (9)：
  • ホペンII
  • ワリキエン
  • ネオホパ-13(18)-エン
  • Hopene II
  • Wallichiene
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CAS registry number： 21681-17-4
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