Chem
J-GLOBAL ID：200907041415036009   Nikkaji number：J119.129B

1′H-5α-Cholestano[3,2-b]indole

1′H-5α-コレスタノ[3,2-b]インドール
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： C33H49N
Molecular formula furigana： C33-H49-N
Molecular weight： 459.762
InChI： InChI=1S/C33H49N/c1-21(2)9-8-10-22(3)27-15-16-28-25-14-13-23-19-31-26(24-11-6-7-12-30(24)34-31)20-33(23,5)29(25)17-18-32(27,28)4/h6-7,11-12,21-23,25,27-29,34H,8-10,13-20H2,1-5H3/t22-,23+,25+,27-,28+,29+,32-,33+/m1/s1
InChI key： UJPMSSIEJPGKGY-YHPMGPRQSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Cc5[nH]c6ccccc6c5C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • 1′H-5α-コレスタ-2-エノ[3,2-b]インドール
  • 1′H-5α-コレスタノ[3,2-b]インドール
  • (1S,2S,5R,6R,9S,10R,13S)-1,5-ジメチル-6-[(2R)-6-メチルヘプタン-2-イル]-16-アザヘキサシクロ[11.11.0.02,10.05,9.015,23.017,22]テトラコサ-15(23),17,19,21-テトラエン
  • (1S,2S,5R,6R,9S,10R,13S)-1,5-dimethyl-6-[(2R)-6-methylheptan-2-yl]-16-azahexacyclo[11.11.0.02,10.05,9.015,23.017,22]tetracosa-15(23),17,19,21-tetraene
Other name (2)：
  • 1′H-5α-Cholest-2-eno[3,2-b]indole
  • 1′H-5α-Cholestano[3,2-b]indole
CAS registry number： 4356-25-6
KEGG COMPOUND： C15445
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