| SpectraBase Compound ID | CYdh4ahCF5C |
|---|---|
| InChI | InChI=1S/C21H26N2O4/c1-27-20(26)18-14-10-17-21(19(25)13-4-2-3-5-15(13)22-21)8-9-23(17)11-12(14)6-7-16(18)24/h2-5,12,14,16-18,22,24H,6-11H2,1H3/t12-,14-,16-,17-,18-,21-/m1/s1 |
| InChIKey | NBAZMEJNJWJAPL-NCOBNINSSA-N |
| Mol Weight | 370.45 g/mol |
| Molecular Formula | C21H26N2O4 |
| Exact Mass | 370.189257 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 91F5UtrZ60P |
|---|---|
| Name | Corynanthine - pseudoindoxyl A |
| Alternate Name(s) | 8'-hydroxy-3-oxo-9'-spiro[1H-indole-2,1'-3,5,5a,6,7,8,9,9a,10,10a-decahydro-2H-pyrrolo[1,2-b]isoquinoline]carboxylic acid methyl ester Yohimbine pseudoindoxyl 8-hydroxy-3'-keto-spiro[3,5,5a,6,7,8,9,9a,10,10a-decahydro-2H-pyrrol[1,2-b]isoquinoline-1,2'-indoline]-9-carboxylic acid methyl ester Methyl 1,2',3,3',5'a,6,7',8',9',9'a,10',10'a-dodecahydro-8'-hydroxy-3-oxospiro(2H-indole-2,1'(5'H)-pyrrolo(1,2-b)isoquinoline)-9'-carboxylate (5'aR-(5'aalpha,8'beta,9'beta,9'abeta,10'abeta))- methyl 8'-hydroxy-3-oxospiro[1H-indole-2,1'-3,5,5a,6,7,8,9,9a,10,10a-decahydro-2H-pyrrolo[1,2-b]isoquinoline]-9'-carboxylate methyl 8'-oxidanyl-3-oxidanylidene-spiro[1H-indole-2,1'-3,5,5a,6,7,8,9,9a,10,10a-decahydro-2H-pyrrolo[1,2-b]isoquinoline]-9'-carboxylate methyl 8-hydroxy-3'-oxo-spiro[3,5,5a,6,7,8,9,9a,10,10a-decahydro-2H-pyrrolo[1,2-b]isoquinoline-1,2'-indoline]-9-carboxylate Spiro(2H-indole-2,1'(5'H)-pyrrolo(1,2-b)isoquinoline)-9'-carboxylic acid, 1,2',3,3',5'a,6,7',8',9',9'a,10',10'a-dodecahydro-8'-hydroxy-3-oxo-, methyl ester, (5'aR-(5'aalpha,8'beta,9'beta,9'abeta,10'abeta))- |
| CAS Registry Number | 6872-98-6 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N2O4 |
| InChI | InChI=1S/C21H26N2O4/c1-27-20(26)18-14-10-17-21(19(25)13-4-2-3-5-15(13)22-21)8-9-23(17)11-12(14)6-7-16(18)24/h2-5,12,14,16-18,22,24H,6-11H2,1H3/t12-,14-,16-,17-,18-,21-/m1/s1 |
| InChIKey | NBAZMEJNJWJAPL-NCOBNINSSA-N |
| Molecular Weight | 370.449 g/mol |
| SMILES | N1c2ccccc2C([C@@]11[C@]2(C[C@]3([C@]([C@@](CC[C@@]3(CN2CC1)[H])(O)[H])(C(=O)OC)[H])[H])[H])=O |
| SPLASH | splash10-00di-0092000000-105654fa222de5d673bd |
| Source of Spectrum | H-77-1343-11 |
| Wiley ID | 1354386 |