Hernangerine

CAS Registry Number®

31520-97-5

CAS Name

Hernangerine

Molecular Formula

C18H17NO4

Molecular Mass

311.33

Cite this Page

Hernangerine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31520-97-5 (retrieved 2024-12-23) (CAS RN: 31520-97-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176-177 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H17NO4/c1-21-17-12(20)3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17/h2-3,7,11,19-20H,4-6,8H2,1H3/t11-/m0/s1

InChIKey

InChIKey=CFUKKPQRQGCLAT-NSHDSACASA-N

SMILES

O(C)C1=C2C=3C=4[C@](CC2=CC=C1O)(NCCC4C=C5C3OCO5)[H]

Canonical SMILES

OC1=CC=C2C(=C1OC)C=3C=4OCOC4C=C5C3C(NCC5)C2

Other Names for this Substance

  • 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-11-ol, 6,7,7a,8-tetrahydro-12-methoxy-, (7aS)-
  • 6aα-Noraporphin-10-ol, 11-methoxy-1,2-(methylenedioxy)-
  • Nandigerine
  • 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-11-ol, 6,7,7a,8-tetrahydro-12-methoxy-, (S)-
  • (7aS)-6,7,7a,8-Tetrahydro-12-methoxy-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-11-ol

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Deleted or Replaced CAS Registry Numbers

1352-28-9, 5544-70-7, 11013-88-0

CAS INSIGHTSTM
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