| SpectraBase Compound ID | KLO3nVMkfaw |
|---|---|
| InChI | InChI=1S/C22H27NO5/c1-4-28-21(25)22-7-5-16(24)10-15(22)11-18-17-12-20(27-3)19(26-2)9-14(17)6-8-23(18)13-22/h9-10,12,18H,4-8,11,13H2,1-3H3 |
| InChIKey | IYAANJMUQZEHFR-UHFFFAOYSA-N |
| Mol Weight | 385.46 g/mol |
| Molecular Formula | C22H27NO5 |
| Exact Mass | 385.188923 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8zhIu7SHgkb |
|---|---|
| Name | 13a.alpha.-Berbine-8a.alpha.(9H)-carboxylic acid, 10,11-dihydro-2,3-dimethoxy-11-oxo-, ethyl ester, (.+-.)- |
| Alternate Name(s) | Ethyl 2,3-dimethoxy-11-oxo-5,9,10,11,13,13a-hexahydro-6H-isoquino[3,2-a]isoquinoline-8a(8H)-carboxylate 11-keto-2,3-dimethoxy-6,8,9,10,13,13a-hexahydro-5H-isoquinolin[2,1-b]isoquinoline-8a-carboxylic acid ethyl ester 13a.alpha.-Berbine-8a.alpha.(9H)-carboxylic acid, 10,11-dihydro-2,3-dimethoxy-11-oxo-, ethyl ester, (.+/-.)- 2,3-Dimethoxy-11-oxo-6,8,9,10,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline-8a-carboxylic acid ethyl ester Ethyl 2,3-dimethoxy-11-oxidanylidene-6,8,9,10,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline-8a-carboxylate Ethyl 2,3-dimethoxy-11-oxo-6,8,9,10,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline-8a-carboxylate |
| CAS Registry Number | 19778-06-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H27NO5 |
| InChI | InChI=1S/C22H27NO5/c1-4-28-21(25)22-7-5-16(24)10-15(22)11-18-17-12-20(27-3)19(26-2)9-14(17)6-8-23(18)13-22/h9-10,12,18H,4-8,11,13H2,1-3H3 |
| InChIKey | IYAANJMUQZEHFR-UHFFFAOYSA-N |
| Molecular Weight | 385.460 g/mol |
| SMILES | CCOC(C12CCC(C=C1CC1c3cc(c(cc3CCN1C2)OC)OC)=O)=O |
| SPLASH | splash10-053l-0229000000-f3c72731e7a97c19ad54 |
| Source of Spectrum | AD-0-2344-0 |
| Wiley ID | 1362250 |