| SpectraBase Compound ID | EHgiPRxL7L9 |
|---|---|
| InChI | InChI=1S/C23H38O4/c1-16(13-21(26)27-15-18(25)14-24)7-9-19-17(2)8-10-20-22(3,4)11-6-12-23(19,20)5/h13,18-20,24-25H,2,6-12,14-15H2,1,3-5H3/b16-13+/t18-,19+,20?,23-/m0/s1 |
| InChIKey | VBKSFYCGSRJRKA-OBSMJSCLSA-N |
| Mol Weight | 378.6 g/mol |
| Molecular Formula | C23H38O4 |
| Exact Mass | 378.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GP0LeavGOA2 |
|---|---|
| Name | Copalic acid 2,3-dihydroxypropyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H38O4 |
| InChI | InChI=1S/C23H38O4/c1-16(13-21(26)27-15-18(25)14-24)7-9-19-17(2)8-10-20-22(3,4)11-6-12-23(19,20)5/h13,18-20,24-25H,2,6-12,14-15H2,1,3-5H3/b16-13+/t18-,19+,20?,23-/m0/s1 |
| InChIKey | VBKSFYCGSRJRKA-OBSMJSCLSA-N |
| Molecular Weight | 378.553 g/mol |
| SMILES | O[C@@](CO)(COC(\C=C\(CC[C@]1([C@]2(C(C(CCC2)(C)C)CCC1=C)C)[H])C)=O)[H] |
| SPLASH | splash10-00du-0793000000-e55312137022d9e154b5 |
| Source of Spectrum | F-56-2509-1 |
| 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 [(2S)-2,3-dihydroxypropyl] ester [(2S)-2,3-dihydroxypropyl] (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 [(2S)-2,3-dihydroxypropyl] (E)-5-[(1R,8aR)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-2-enoate [(2S)-2,3-bis(oxidanyl)propyl] (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 | 856619 |