(6R,6aS,8R,9S,11S)-5,6a,7,8,9,11-Hexahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol

CAS Registry Number®

1354-81-0

CAS Name

(6R,6aS,8R,9S,11S)-5,6a,7,8,9,11-Hexahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol

Molecular Formula

C16H17NO4

Molecular Mass

287.31

Cite this Page

(6R,6aS,8R,9S,11S)-5,6a,7,8,9,11-Hexahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1354-81-0 (retrieved 2024-12-04) (CAS RN: 1354-81-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12-,13-,14+/m0/s1

InChIKey

InChIKey=JKZMYBLUKAMPKM-XDQVBPFNSA-N

SMILES

O[C@H]1C=C2[C@@]3(C=4C(C[N@@](C3)[C@]2(C[C@H]1O)[H])=CC5=C(C4)OCO5)[H]

Canonical SMILES

OC1C=C2C3C4=CC=5OCOC5C=C4CN(C3)C2CC1O

Other Names for this Substance

  • 6,11-Methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol, 5,6a,7,8,9,11-hexahydro-, (6R,6aS,8R,9S,11S)-
  • Brunsvigine
  • Pancracine, (3α)-
  • (6R,6aS,8R,9S,11S)-5,6a,7,8,9,11-Hexahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol
  • 3-Epipancracine

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