Bebeerine

CAS Registry Number®

477-60-1
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CAS Name

Bebeerine

Molecular Formula

C36H38N2O6

Molecular Mass

594.70

Cite this Page

Bebeerine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=477-60-1 (retrieved 2024-05-18) (CAS RN: 477-60-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1

InChIKey

InChIKey=NGZXDRGWBULKFA-NSOVKSMOSA-N

SMILES

OC1=C2C=3[C@](CC=4C=C(OC=5C=C6[C@](CC=7C=CC(O2)=CC7)(N(C)CCC6=CC5OC)[H])C(O)=CC4)(N(C)CCC3C=C1OC)[H]

Canonical SMILES

OC1=CC=C2C=C1OC=3C=C4C(=CC3OC)CCN(C)C4CC5=CC=C(OC=6C(O)=C(OC)C=C7C6C(N(C)CC7)C2)C=C5

Other Names for this Substance

  • 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline-9,19-diol, 2,3,13a,14,15,16,25,25a-octahydro-18,29-dimethoxy-1,14-dimethyl-, (13aS,25aS)-
  • Bebeerine
  • Tubocuraran-7′,12′-diol, 6,6′-dimethoxy-2,2′-dimethyl-, (1′α)-
  • (13aS,25aS)-2,3,13a,14,15,16,25,25a-Octahydro-18,29-dimethoxy-1,14-dimethyl-13H-4,6:21,24-dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline-9,19-diol
  • Chondrodendrine

View All

Deleted or Replaced CAS Registry Numbers

1407-34-7, 1407-33-6, 1407-32-5, 8030-54-4, 28639-16-9

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