Chem
J-GLOBAL ID：200907046491040106   Nikkaji number：J7.374A

NSC-102244

シクロブキシンD
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： C25H42N2O
Molecular formula furigana： C25-H42-N2-O
Molecular weight： 386.624
InChI： InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1
InChI key： BSNZFQANPMIOIU-WZBMPAQFSA-N
SMILES： CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(=C)[C@H](CC[C@]54C[C@@]35CC[C@]12C)NC
Systematic name  (3)：
  • (20S)-14-メチル-3β,20-ビス(メチルアミノ)-4-メチレン-9β,19-シクロ-5α-プレグナン-16α-オール
  • (1S,3R,6S,8R,11S,12S,14R,15S,16R)-12,16-ジメチル-6-(メチルアミノ)-15-[(1S)-1-(メチルアミノ)エチル]-7-メチリデンペンタシクロ[9.7.0.01,3.03,8.012,16]オクタデカン-14-オール
  • (1S,3R,6S,8R,11S,12S,14R,15S,16R)-12,16-dimethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]-7-methylidenepentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol
Other name (4)：
  • シクロブキシンD
  • Cyclobuxine D
  • NSC-102244
  • (20S)-14-Methyl-3β,20-bis(methylamino)-4-methylene-9β,19-cyclo-5α-pregnan-16α-ol
CAS registry number： 2241-90-9
Regulation number (1)：
  • GZ0590020
KEGG COMPOUND： C10797
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM