| SpectraBase Compound ID | 9ivUv1mJhFC |
|---|---|
| InChI | InChI=1S/C26H42O4/c1-18(15-23(27)28-16-20-17-29-25(5,6)30-20)9-11-21-19(2)10-12-22-24(3,4)13-8-14-26(21,22)7/h15,20-22H,2,8-14,16-17H2,1,3-7H3/b18-15+/t20-,21-,22?,26+/m1/s1 |
| InChIKey | BCONCGODVHHYOE-ORNUPVFBSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C26H42O4 |
| Exact Mass | 418.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H0uUIkVPnpt |
|---|---|
| Name | Copalic acid 2,2-Dimethyl-1,3-dioxolan-4-ylmethyl ester |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42O4 |
| InChI | InChI=1S/C26H42O4/c1-18(15-23(27)28-16-20-17-29-25(5,6)30-20)9-11-21-19(2)10-12-22-24(3,4)13-8-14-26(21,22)7/h15,20-22H,2,8-14,16-17H2,1,3-7H3/b18-15+/t20-,21-,22?,26+/m1/s1 |
| InChIKey | BCONCGODVHHYOE-ORNUPVFBSA-N |
| Molecular Weight | 418.618 g/mol |
| SMILES | [C@]12(C(C(CCC2)(C)C)CCC([C@]1(CC\C(=C\C(=O)OC[C@]1(OC(C)(C)OC1)[H])C)[H])=C)C |
| SPLASH | splash10-0aou-0943100000-8086ee457ff7b08f838c |
| Source of Spectrum | F-56-2508-1 |
| Synonyms | (E)-5-[(1R,8aR)-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-2-pentenoic acid [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (E)-5-[(1R,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoate [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (E)-5-[(1R,8aR)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-2-enoate [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (E)-5-[(1R,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-pent-2-enoate |
| Wiley ID | 856622 |