Chem
J-GLOBAL ID：200907013513058378   Nikkaji number：J340.822A

Protodaphniphylline

プロトダフニフィリン
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： C30H47N
Molecular formula furigana： C30-H47-N
Molecular weight： 421.713
InChI： InChI=1S/C30H47N/c1-20(2)10-7-11-22(5)12-8-17-30-25-13-9-16-29(25)19-15-24-27(29)31-26(30)23(21(3)4)14-18-28(24,30)6/h10,12,23-27,31H,3,7-9,11,13-19H2,1-2,4-6H3/b22-12+/t23-,24-,25-,26+,27?,28+,29-,30+/m1/s1
InChI key： BQBIWYQYARNZHX-HMZWBVQBSA-N
SMILES： CC(=CCC/C(=C/CC[C@]12[C@@H]3CCC[C@]43CC[C@@H]3C4N[C@H]1[C@H](CC[C@]23C)C(=C)C)/C)C
Systematic name  (3)：
  • 17,18-ジデヒドロ-23-[(E)-1,5-ジメチル-4-ヘキセニリデン]-12,16-シクロ-1,12-セコダフナン
  • (1S,2R,3R,7R,10S,13S,14R)-2-[(3E)-4,8-ジメチルノナ-3,7-ジエン-1-イル]-1-メチル-14-(プロパ-1-エン-2-イル)-12-アザペンタシクロ[8.6.0.02,13.03,7.07,11]ヘキサデカン
  • (1S,2R,3R,7R,10S,13S,14R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-1-methyl-14-(prop-1-en-2-yl)-12-azapentacyclo[8.6.0.02,13.03,7.07,11]hexadecane
Other name (3)：
  • Protodaphniphylline
  • プロトダフニフィリン
  • 17,18-Didehydro-23-[(E)-1,5-dimethyl-4-hexenylidene]-12,16-cyclo-1,12-secodaphnane
Thsaurus map：
Thesaurus Map

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