Geissospermine

CAS Registry Number®

427-01-0

CAS Name

Geissospermine

Molecular Formula

C40H48N4O3

Molecular Mass

632.83

Cite this Page

Geissospermine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=427-01-0 (retrieved 2024-11-24) (CAS RN: 427-01-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146 °C

Source(s)

Other Names and Identifiers

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

InChIKey

InChIKey=ISDWYSGTYITCHG-FDOUXRQQSA-N

SMILES

[C@H](C(OC)=O)([C@]1(N2[C@@]3([C@@]4([C@]5([N@@](CC4)C[C@@H](CC)[C@@]([C@@]3(CO1)[H])(C5)[H])[H])C=6C2=CC=CC6)[H])[H])[C@@]/7(C[C@]8(C9=C(C=%10C(N9)=CC=CC%10)CCN8C\C7=C\C)[H])[H]

Canonical SMILES

O=C(OC)C(C1OCC2C3CC4N(CCC54C=6C=CC=CC6N1C25)CC3CC)C7C(=CC)CN8CCC=9C=%10C=CC=CC%10NC9C8C7

Other Names for this Substance

  • 12H-1,12-Ethano-9H,11H-[1,3]oxazino[3,4,5-lm]pyrrolo[2,3-d]carbazole-9-acetic acid, 14-ethyl-α-[(2S,3E,12bS)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-2,3,11a,11b,13,13a-hexahydro-, methyl ester, (αR,1S,3aR,9S,11aS,11bS,12S,13aS,14S)-
  • Geissospermine
  • Corynan-17-oic acid, 19,20-didehydro-16-[(10β,13β,21β)-23-deoxy-21,22-dihydro-11-oxa-12,24-secostrychnidin-10-yl]-, methyl ester, (16R,19E)-
  • 11-Oxa-12,24-secostrychnidine, corynan-17-oic acid deriv.
  • 12H-1,12-Ethano-9H,11H-[1,3]oxazino[3,4,5-lm]pyrrolo[2,3-d]carbazole-9-acetic acid, 14-ethyl-α-(3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-2,3,11a,11b,13,13a-hexahydro-, methyl ester, [1S-[1α,3aS*,9α[S*(2R*,3E,12bR*)],11aα,11bα,12α,13aβ,14R*]]-

Deleted or Replaced CAS Registry Numbers

1413-62-3, 1089764-88-4, 1071658-44-0

CAS INSIGHTSTM
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