| SpectraBase Compound ID | 53sUuDXMyQw |
|---|---|
| InChI | InChI=1S/C23H38O4/c1-15-7-8-18-22(4)11-6-10-21(2,3)17(22)9-12-23(18,5)19(15)20(26)27-14-16(25)13-24/h7,16-19,24-25H,6,8-14H2,1-5H3/t16-,17?,18-,19+,22+,23-/m0/s1 |
| InChIKey | MWAJABGHRMTDDP-IPUYTKSSSA-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 | 1H9kpwvWT2 |
|---|---|
| Name | (+)-Isocopalic acid monoacylglycerol ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H38O4 |
| InChI | InChI=1S/C23H38O4/c1-15-7-8-18-22(4)11-6-10-21(2,3)17(22)9-12-23(18,5)19(15)20(26)27-14-16(25)13-24/h7,16-19,24-25H,6,8-14H2,1-5H3/t16-,17?,18-,19+,22+,23-/m0/s1 |
| InChIKey | MWAJABGHRMTDDP-IPUYTKSSSA-N |
| Molecular Weight | 378.553 g/mol |
| SMILES | O[C@@](CO)(COC([C@@]1([C@@]2([C@]([C@]3(C(C(CCC3)(C)C)CC2)C)(CC=C1C)[H])C)[H])=O)[H] |
| SPLASH | splash10-004m-0910000000-9289d08ed910a0cbc600 |
| Source of Spectrum | F-56-2509-2 |
| Synonyms | [(2S)-2,3-dihydroxypropyl] (1S,4aS,4bR,10aS)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate [(2S)-2,3-bis(oxidanyl)propyl] (1S,4aS,4bR,10aS)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate |
| Wiley ID | 856618 |