Cinchonan-9-ol, 6′-methoxy-, (9S)-, mono(2-hydroxypropanoate) (salt)
CAS Registry Number®
85135-84-8
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CAS Name
Cinchonan-9-ol, 6′-methoxy-, (9S)-, mono(2-hydroxypropanoate) (salt)Molecular Formula
C20H24N2O2.C3H6O3Cite this Page
Cinchonan-9-ol, 6′-methoxy-, (9S)-, mono(2-hydroxypropanoate) (salt). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=85135-84-8 (retrieved ) (CAS RN: 85135-84-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H24N2O2.C3H6O3/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;1-2(4)3(5)6/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2,4H,1H3,(H,5,6)/t13-,14-,19+,20-;/m0./s1
InChIKey
InChIKey=ZIDGEHZBXVXPFQ-VJAUXQICSA-N
SMILES
[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].C(C(O)=O)(C)O
Canonical SMILES
O=C(O)C(O)C.OC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C=C)C4
Other Names for this Substance
- Cinchonan-9-ol, 6′-methoxy-, (9S)-, mono(2-hydroxypropanoate) (salt)
- Propanoic acid, 2-hydroxy-, compd. with (9S)-6′-methoxycinchonan-9-ol (1:1)
