| SpectraBase Compound ID | AeisMOkUbGh |
|---|---|
| InChI | InChI=1S/C27H34O4/c1-18(24(28)20-13-9-6-10-14-20)25(29)31-27(4)22-15-21(26(22,2)3)16-23(27)30-17-19-11-7-5-8-12-19/h5-14,18,21-24,28H,15-17H2,1-4H3/t18-,21+,22+,23-,24+,27+/m0/s1 |
| InChIKey | MOXIMZUXRFUUQG-CUYFDVQQSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C27H34O4 |
| Exact Mass | 422.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BGsw9qhkNXB |
|---|---|
| Name | anti-3-O-Benzylpinanediol 3'-phenyl-3'-hydroxy-2'-methylpropionate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H34O4 |
| InChI | InChI=1S/C27H34O4/c1-18(24(28)20-13-9-6-10-14-20)25(29)31-27(4)22-15-21(26(22,2)3)16-23(27)30-17-19-11-7-5-8-12-19/h5-14,18,21-24,28H,15-17H2,1-4H3/t18-,21+,22+,23-,24+,27+/m0/s1 |
| InChIKey | MOXIMZUXRFUUQG-CUYFDVQQSA-N |
| Molecular Weight | 422.565 g/mol |
| SMILES | O[C@]([C@@](C(O[C@@]1([C@]2(C(C)(C)[C@@](C[C@@]1(OCc1ccccc1)[H])(C2)[H])[H])C)=O)(C)[H])(c1ccccc1)[H] |
| SPLASH | splash10-0aou-9000000000-fbaa9e17fd1a70f3c532 |
| Source of Spectrum | QC-11-3499-4 |
| Synonyms | (2S,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid [(1R,3S,4R,5R)-4,6,6-trimethyl-3-phenylmethoxy-4-bicyclo[3.1.1]heptanyl] ester [(1R,3S,4R,5R)-4,6,6-trimethyl-3-phenylmethoxy-4-bicyclo[3.1.1]heptanyl] (2S,3R)-3-hydroxy-2-methyl-3-phenylpropanoate [(1R,2R,3S,5R)-3-benzyloxy-2,6,6-trimethyl-norpinan-2-yl] (2S,3R)-3-hydroxy-2-methyl-3-phenyl-propanoate [(1R,3S,4R,5R)-4,6,6-trimethyl-3-phenylmethoxy-4-bicyclo[3.1.1]heptanyl] (2S,3R)-2-methyl-3-oxidanyl-3-phenyl-propanoate |
| Wiley ID | 860103 |