Chem
J-GLOBAL ID：200907030995162489   Nikkaji number：J15.421K

Buxamine E

ブキサミンE
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： C26H44N2
Molecular formula furigana： C26-H44-N2
Molecular weight： 384.652
InChI： InChI=1S/C26H44N2/c1-17(27)20-13-15-26(5)22-10-9-21-18(16-19(22)12-14-25(20,26)4)8-11-23(28(6)7)24(21,2)3/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3/t17-,20+,21+,22+,23-,25+,26-/m0/s1
InChI key： UVGUDMTZIJXYDY-XSWJKVCQSA-N
SMILES： C[C@H](N)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C
Systematic name  (3)：
  • (20S)-3β-ジメチルアミノ-4,4,14-トリメチル-B(9a)-ホモ-19-ノル-5α-プレグナ-9(11),9a-ジエン-20-アミン
  • (6S,8R,11R,12S,15S,16R)-15-[(1S)-1-アミノエチル]-N,N,7,7,12,16-ヘキサメチルテトラシクロ[9.7.0.03,8.012,16]オクタデカ-1(18),2-ジエン-6-アミン
  • (6S,8R,11R,12S,15S,16R)-15-[(1S)-1-aminoethyl]-N,N,7,7,12,16-hexamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine
Other name (3)：
  • ブキサミンE
  • Buxamine E
  • (20S)-3β-Dimethylamino-4,4,14-trimethyl-B(9a)-homo-19-nor-5α-pregna-9(11),9a-dien-20-amine
CAS registry number： 14317-17-0
KEGG COMPOUND： C10795
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