Cas no 215932-85-7 (1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy]-, methyl ester, (1R,6R,7aR)-)

1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy]-, methyl ester, (1R,6R,7aR)- structure
215932-85-7 structure
Product Name:1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy]-, methyl ester, (1R,6R,7aR)-
CAS No:215932-85-7
MF:C19H25NO6
MW:363.40490603447
CID:2729553
PubChem ID:10832535
Update Time:2024-03-01

1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy]-, methyl ester, (1R,6R,7aR)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy]-, methyl ester, (1R,6R,7aR)-
    • methyl (1R,6R,8R)-6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
    • (+)-Amphorogynine A
    • 1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-(3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy)-, methyl ester, (1R,6R,7aR)-
    • 215932-85-7
    • Amphorogynine A
    • (-)-Amphorogynine B
    • (-)-Amphorogynine C
    • Amphorogynine B
    • Inchi: 1S/C19H25NO6/c1-24-17-9-12(3-5-16(17)21)4-6-18(22)26-13-10-15-14(19(23)25-2)7-8-20(15)11-13/h3,5,9,13-15,21H,4,6-8,10-11H2,1-2H3/t13-,14-,15-/m1/s1
    • InChI Key: GHHWIUJHEXDOEU-RBSFLKMASA-N
    • SMILES: N12CC[C@@H](C(OC)=O)[C@@]1([H])C[C@@H](OC(=O)CCC1=CC=C(O)C(OC)=C1)C2

Computed Properties

  • Exact Mass: 363.16818752g/mol
  • Monoisotopic Mass: 363.16818752g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 8
  • Complexity: 512
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 85.3?2

1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy]-, methyl ester, (1R,6R,7aR)- Related Literature

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