| SpectraBase Compound ID | IfAwsVQt2tX |
|---|---|
| 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+ |
| InChIKey | RGXKJLTVROJBKZ-QLKAYGNNSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C21H26N2O3 |
| Exact Mass | 354.194343 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FOERxgZSDcy |
|---|---|
| Name | Corynan-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester, (16R,19E)- |
| CAS Registry Number | 6519-27-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N2O3 |
| 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+ |
| InChIKey | RGXKJLTVROJBKZ-QLKAYGNNSA-N |
| Molecular Weight | 354.450 g/mol |
| SMILES | OCC(C(=O)OC)C1CC2c3c(c4ccccc4[nH]3)CCN2C\C1=C\C |
| SPLASH | splash10-00kk-0791000000-bff858d59a66b779d0ab |
| Source of Spectrum | T-66-2027-0 |
| Synonyms | (16R,19Z)-Isositsirikine (16s,19Z)-Isositsirikine 16-epi-isositsirikine 17,18-Secoyohimban-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester 17,18-Secoyohimban-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester, (16S,19E)- 2-[(3Z)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoic acid methyl ester 2-[(3Z)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-2-yl]-3-hydroxy-propionic acid methyl ester Corynan-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester, (16S,19E)- Corynan-17-oic acid, 19,20-didehydro-16-(hydroxymethyl)-, methyl ester Isositsirikine Isositskiakine isomer k060 Methyl 2-[(3Z)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxy-propanoate Methyl 2-[(3Z)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-oxidanyl-propanoate NSC 282700 NSC 338932 |
| Wiley ID | 1344711 |