Isositsirikine
CAS Registry Number®
6519-27-3
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CAS Name
IsositsirikineMolecular Formula
C21H26N2O3Molecular Mass
354.44Cite this Page
Isositsirikine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6519-27-3 (retrieved ) (CAS RN: 6519-27-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
263.5 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,16-17,19,22,24H,8-12H2,1-2H3/b13-3-/t16-,17-,19-/m0/s1
InChIKey
InChIKey=RGXKJLTVROJBKZ-LZNZQLKFSA-N
SMILES
[C@H](C(OC)=O)(CO)[C@]/1(C[C@]2(C3=C(C=4C(N3)=CC=CC4)CCN2C\C1=C\C)[H])[H]
Canonical SMILES
O=C(OC)C(CO)C1C(=CC)CN2CCC=3C=4C=CC=CC4NC3C2C1
Other Names for this Substance
- Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethylidene-1,2,3,4,6,7,12,12b-octahydro-α-(hydroxymethyl)-, methyl ester, (αR,2R,3E,12bS)-
- 17,18-Secoyohimban-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester, (16R,19E)-
- Isositsirikine
- Corynan-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester, (16R,19E)-
- 16R-Isositsirikine
