Chem
J-GLOBAL ID：200907045764222184   Nikkaji number：J11.382D

Geissospermine

ゲイッソスペルミン
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： C40H48N4O3
Molecular formula furigana： C40-H48-N4-O3
Molecular weight： 632.849
InChI： InChI=1S/C40H48N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3/b24-5-/t23-,27+,28+,29+,33+,34+,35-,37+,38+,40-/m1/s1
InChI key： ISDWYSGTYITCHG-OCNKQYNFSA-N
SMILES： CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1[C@@H]1CO[C@@H]([C@@H]([C@H]2C[C@@H]5N(CCc6c5[nH]c5ccccc65)C/C/2=C/C)C(=O)OC)N([C@H]31)c1ccccc41
Systematic name  (3)：
  • (16R,19E)-19,20-ジデヒドロ-16-[(10β,13β,21S)-23-デオキシ-21,22-ジヒドロ-11-オキサ-12,24-セコストリキニジン-10-イル]コリナン-17-酸メチル
  • メチル (2R)-2-[(2R,3E,12bS)-3-エチリデン-1H,2H,3H,4H,6H,7H,12H,12bH-インドロ[2,3-a]キノリジン-2-イル]-2-[(1R,9S,12S,13S,14S,19S,21S)-14-エチル-10-オキサ-8,16-ジアザヘキサシクロ[11.5.2.11,8.02,7.016,19.012,21]ヘンイコサ-2,4,6-トリエン-9-イル]アセタート
  • methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl]-2-[(1R,9S,12S,13S,14S,19S,21S)-14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-trien-9-yl]acetate
Other name (5)：
  • ゲイッソスペルミン
  • Geissospermine
  • (16R,19E)-19,20-Didehydro-16-[(10β,13β,21S)-23-deoxy-21,22-dihydro-11-oxa-12,24-secostrychinidin-10-yl]corynan-17-oic acid methyl ester
  • (-)-ゲイッソスペルミン
  • (-)-Geissospermine
CAS registry number： 427-01-0
KEGG COMPOUND： C09200
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