![1H-Naphtho[2,1-b]pyran-3-acetic acid, dodecahydro-3,4a,7,7,10a-pentamethyl-, methyl ester](/api/spectrum/5f0dhD3wVdl/structure.png?h=300&w=458 "1H-Naphtho[2,1-b]pyran-3-acetic acid, dodecahydro-3,4a,7,7,10a-pentamethyl-, methyl ester")
| SpectraBase Compound ID | 6epACpgbM55 |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-18(2)10-7-11-20(4)15(18)9-13-21(5)16(20)8-12-19(3,24-21)14-17(22)23-6/h15-16H,7-14H2,1-6H3 |
| InChIKey | NVGDCPUGVBCFPA-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5f0dhD3wVdl |
|---|---|
| Name | 1H-Naphtho[2,1-b]pyran-3-acetic acid, dodecahydro-3,4a,7,7,10a-pentamethyl-, methyl ester |
| CAS Registry Number | 56247-60-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H36O3 |
| InChI | InChI=1S/C21H36O3/c1-18(2)10-7-11-20(4)15(18)9-13-21(5)16(20)8-12-19(3,24-21)14-17(22)23-6/h15-16H,7-14H2,1-6H3 |
| InChIKey | NVGDCPUGVBCFPA-UHFFFAOYSA-N |
| Molecular Weight | 336.516 g/mol |
| SMILES | CC12C3C(C)(OC(CC3)(CC(OC)=O)C)CCC1C(C)(C)CCC2 |
| SPLASH | splash10-0fkj-5946000000-e51754ed5dda054b9f4f |
| Source of Spectrum | AC-64-1383-1 |
| Synonyms | Methyl (3,4a,7,7,10a-pentamethyldodecahydro-1H-benzo[f]chromen-3-yl)acetate 2-(3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl)acetic acid methyl ester 2-(3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f][1]benzopyran-3-yl)acetic acid methyl ester Methyl 2-(3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl)acetate Methyl 2-(3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl)ethanoate |
| Wiley ID | 1332701 |