Cas no 33495-49-7 (20(R)-Ervatamin)

20(R)-Ervatamin structure
20(R)-Ervatamin structure
Product Name:20(R)-Ervatamin
CAS No:33495-49-7
MF:C21H26N2O3
MW:354.442745685577
CID:2047865
Update Time:2025-03-28

20(R)-Ervatamin Chemical and Physical Properties

Names and Identifiers

    • 20(R)-Ervatamin
    • 20-Epiervatamine
    • 4-ethyl-2-methyl-6-oxo-2,3,4,4a,5,6,7,12-octahydro-1H-pyrido[3',4':4,5]cyclohepta[1,2-b]indole-12a-carboxylic acid methyl ester
    • Epi-20-Ervatamin
    • Ervatamin
    • Ervatamine
    • 20-epi-Evatamine
    • MLS000728625
    • SMR000470804
    • Pyrido[3',4':4,5]cyclohept[1,2-b]indole-12a(1H)-carboxylic acid, 4-ethyl-2,3,4,4a,5,6,7,12-octahydro-2-methyl-6-oxo-, methyl ester, (4R,4aS,12aR)-
    • Inchi： 1S/C21H26N2O3/c1-4-13-11-23(2)12-21(20(25)26-3)10-15-14-7-5-6-8-17(14)22-19(15)18(24)9-16(13)21/h5-8,13,16,22H,4,9-12H2,1-3H3
    • InChI Key： METLQVFFFUYXNT-UHFFFAOYSA-N
    • SMILES： CCC1C2C(C(OC)=O)(CC3C4C(=CC=CC=4)NC=3C(C2)=O)CN(C)C1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • XLogP3: 1.981

Experimental Properties

  • Density: 1?+-.0.06 g/cm3(Predicted)
  • Boiling Point: 506.6±50.0 °C(Predicted)
  • pka: 14.97±0.60(Predicted)

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