Chem
J-GLOBAL ID:200907051133036893   Nikkaji number:J482.901H

1,2,3,3a,4,5,5aβ,5b,6,7,8,9,9a,10,14cα,14dβ-Hexadecahydro-3aα,5bα-dimethyl-3α-[(1R)-1,5-dimethylhexyl]benz[a]indeno[5,4-c]carbazole-8α,9aβ-diol

1,2,3,3a,4,5,5aβ,5b,6,7,8,9,9a,10,14cα,14dβ-ヘキサデカヒドロ-3aα,5bα-ジメチル-3α-[(1R)-1,5-ジメチルヘキシル]ベンゾ[a]インデノ[5,4-c]カルバゾール-8α,9aβ-ジオール
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: C33H49NO2
Molecular formula furigana: C33-H49-N-O2
Molecular weight: 491.760
InChI: InChI=1S/C33H49NO2/c1-20(2)9-8-10-21(3)24-13-14-25-29-26(16-17-31(24,25)4)32(5)18-15-22(35)19-33(32,36)30-28(29)23-11-6-7-12-27(23)34-30/h6-7,11-12,20-22,24-26,29,34-36H,8-10,13-19H2,1-5H3/t21-,22+,24-,25+,26+,29+,31-,32-,33+/m1/s1
InChI key: QSTVGRWNTYRJGR-OZWFUFKOSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]1(O)c1[nH]c2ccccc2c31
Systematic name  (3):
  • 1,2,3,3a,4,5,5aβ,5b,6,7,8,9,9a,10,14cα,14dβ-ヘキサデカヒドロ-3aα,5bα-ジメチル-3α-[(1R)-1,5-ジメチルヘキシル]ベンゾ[a]インデノ[5,4-c]カルバゾール-8α,9aβ-ジオール
  • (2S,3S,6R,7R,10S,11R,14S,16R)-7,11-ジメチル-6-[(2R)-6-メチルヘプタン-2-イル]-18-アザヘキサシクロ[15.7.0.02,10.03,7.011,16.019,24]テトラコサ-1(17),19,21,23-テトラエン-14,16-ジオール
  • (2S,3S,6R,7R,10S,11R,14S,16R)-7,11-dimethyl-6-[(2R)-6-methylheptan-2-yl]-18-azahexacyclo[15.7.0.02,10.03,7.011,16.019,24]tetracosa-1(17),19,21,23-tetraene-14,16-diol
Other name (1):
  • 1,2,3,3a,4,5,5aβ,5b,6,7,8,9,9a,10,14cα,14dβ-Hexadecahydro-3aα,5bα-dimethyl-3α-[(1R)-1,5-dimethylhexyl]benz[a]indeno[5,4-c]carbazole-8α,9aβ-diol
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