Speciophylline

CAS Registry Number®

4697-68-1

CAS Name

Speciophylline

Molecular Formula

C21H24N2O4

Molecular Mass

368.43

Cite this Page

Speciophylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4697-68-1 (retrieved 2024-11-22) (CAS RN: 4697-68-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    183 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18+,21-/m0/s1

InChIKey

InChIKey=JMIAZDVHNCCPDM-ZUNJVLJPSA-N

SMILES

O=C1[C@]2([C@@]3(N(CC2)C[C@@]4([C@](C3)(C(C(OC)=O)=CO[C@H]4C)[H])[H])[H])C=5C(N1)=CC=CC5

Canonical SMILES

O=C(OC)C1=COC(C)C2CN3CCC4(C(=O)NC=5C=CC=CC54)C3CC12

Other Names for this Substance

  • Spiro[3H-indole-3,6′(4′aH)-[1H]pyrano[3,4-f]indolizine]-4′-carboxylic acid, 1,2,5′,5′a,7′,8′,10′,10′a-octahydro-1′-methyl-2-oxo-, methyl ester, (1′S,3S,4′aS,5′aR,10′aS)-
  • Speciophylline
  • Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (3β,7α,19α,20α)-
  • Uncarine D
  • Speciophyllin

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Deleted or Replaced CAS Registry Numbers

92772-31-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration