Bebeerine, sulfate (1:1) (salt), tetrahydrate

CAS Registry Number®

5968-96-7
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CAS Name

Bebeerine, sulfate (1:1) (salt), tetrahydrate

Molecular Formula

C36H38N2O6.H2O4S.4H2O

Cite this Page

Bebeerine, sulfate (1:1) (salt), tetrahydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5968-96-7 (retrieved 2024-05-15) (CAS RN: 5968-96-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H38N2O6.H2O4S.H2O/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;1-5(2,3)4;/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3;(H2,1,2,3,4);1H2/t27-,28+;;/m0../s1

InChIKey

InChIKey=TWCIBZWCMCXSAE-YDVFRNEYSA-N

SMILES

S(=O)(=O)(O)O.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].O

Canonical SMILES

O=S(=O)(O)O.O.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

  • Bebeerine, sulfate (1:1) (salt), tetrahydrate
  • Chondrocurine, sulfate (salt) (1:1), tetrahydrate, (+)-
  • d-Chondocurine, sulfate, tetrahydrate

Deleted or Replaced CAS Registry Numbers

1413-81-6

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