Cinchonan-9-ol, 6′-methoxy-, (8α,9S)-, [R-(R*,R*)]-2,3-bis(benzoyloxy)butanedioate (2:1) (salt)
CAS Registry Number®
6211-46-7
CAS Name
Cinchonan-9-ol, 6′-methoxy-, (8α,9S)-, [R-(R*,R*)]-2,3-bis(benzoyloxy)butanedioate (2:1) (salt)Molecular Formula
C20H24N2O2.1/2C18H14O8Cite this Page
Cinchonan-9-ol, 6′-methoxy-, (8α,9S)-, [R-(R*,R*)]-2,3-bis(benzoyloxy)butanedioate (2:1) (salt). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=6211-46-7 (retrieved ) (CAS RN: 6211-46-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H24N2O2.C18H14O8/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-,19-,20-;13-,14-/m01/s1
InChIKey
InChIKey=CYMXYXCVRNSCMT-UKSVLMBSSA-N
SMILES
[C@H]([C@@H](OC(=O)C1=CC=CC=C1)C(O)=O)(OC(=O)C2=CC=CC=C2)C(O)=O.[C@H](O)(C=1C2=C(C=CC(OC)=C2)N=CC1)[C@]3([N@@]4C[C@H](C=C)[C@](C3)(CC4)[H])[H]
Canonical SMILES
O=C(O)C(OC(=O)C=1C=CC=CC1)C(OC(=O)C=2C=CC=CC2)C(=O)O.OC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C=C)C4
Other Names for this Substance
- Cinchonan-9-ol, 6′-methoxy-, (8α,9S)-, [R-(R*,R*)]-2,3-bis(benzoyloxy)butanedioate (2:1) (salt)
- Epiquinine, compd. with tartaric acid dibenzoate (2:1)
- Tartaric acid, dibenzoate, compd. with epiquinone (1:2)
- Butanedioic acid, 2,3-bis(benzoyloxy)-, [R-(R*,R*)]-, compd. with (8α,9S)-6′-methoxycinchonan-9-ol (1:2)
- Epiquinine neutral dibenzoyl-d-tartrate
Deleted or Replaced CAS Registry Numbers
1380-80-9