Chem
J-GLOBAL ID：200907018334432412   Nikkaji number：J377.296I

Agrostophyllinol

アグロストフィリノール
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： C31H52O
Molecular formula furigana： C31-H52-O
Molecular weight： 440.756
InChI： InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h15,20,22-23,25-27,32H,3,10-14,16-19H2,1-2,4-9H3/t22-,23-,25-,26+,27+,29-,30-,31+/m1/s1
InChI key： BEEARZYDKRRUMX-CQYRHOJESA-N
SMILES： CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
Systematic name  (4)：
  • 24-メチレンラノスタ-9(11)-エン-3β-オール
  • 24-メチレン-5α-ラノスタ-9(11)-エン-3β-オール
  • (1R,3aS,3bS,5aR,7S,9aS,11aR)-3a,6,6,9a,11a-ペンタメチル-1-[(2R)-6-メチル-5-メチリデンヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-シクロペンタ[a]フェナントレン-7-オール
  • (1R,3aS,3bS,5aR,7S,9aS,11aR)-3a,6,6,9a,11a-pentamethyl-1-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-ol
Other name (7)：
  • 24-メチレン-24-ジヒドロパルケオール
  • 24-Methylene-24-dihydroparkeol
  • 24-Methylene-5α-lanost-9(11)-en-3β-ol
  • 24-メチレンパルケオール
  • 24-Methyleneparkeol
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