| SpectraBase Compound ID | IvO6YCAXArC |
|---|---|
| InChI | InChI=1S/C24H34O5/c1-16(26)28-15-19-18(14-25)10-11-20-23(2,3)21(12-13-24(19,20)4)29-22(27)17-8-6-5-7-9-17/h5-9,18-21,25H,10-15H2,1-4H3/t18-,19+,20+,21+,24-/m1/s1 |
| InChIKey | ZRHYNBKVUORSRV-AKYZYRQPSA-N |
| Mol Weight | 402.5 g/mol |
| Molecular Formula | C24H34O5 |
| Exact Mass | 402.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EtO1HdrQsEb |
|---|---|
| Name | Benzoic acid (2S,4aS,5S,6S,8aR)-5-acetoxymethyl-6-hydroxymethyl-1,1,4a-trimethyl-decahydro-naphthalen-2-yl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H34O5 |
| InChI | InChI=1S/C24H34O5/c1-16(26)28-15-19-18(14-25)10-11-20-23(2,3)21(12-13-24(19,20)4)29-22(27)17-8-6-5-7-9-17/h5-9,18-21,25H,10-15H2,1-4H3/t18-,19+,20+,21+,24-/m1/s1 |
| InChIKey | ZRHYNBKVUORSRV-AKYZYRQPSA-N |
| Molecular Weight | 402.531 g/mol |
| SMILES | OC[C@@]1([C@@]([C@@]2([C@](C(C)(C)[C@](CC2)(OC(=O)c2ccccc2)[H])(CC1)[H])C)(COC(=O)C)[H])[H] |
| SPLASH | splash10-0a4i-0900000000-7babfec8c111863503f4 |
| Source of Spectrum | H-2005-716-13 |
| Synonyms | (2S,4aS,5S,6S,8aR)-5-[(acetyloxy)methyl]-6-(hydroxymethyl)-1,1,4a-trimethyldecahydro-2-naphthalenyl benzoate 2-(Hydroxymethyl)-5,5,8a-trimethyl-6-(benzyloxy)-1-(acetoxymethyl)-perhydronaphthalene benzoic acid[(2S,4aS,5S,6S,8aR)-5-(acetoxymethyl)-1,1,4a-trimethyl-6-methylol-decalin-2-yl]ester benzoic acid[(2S,4aS,5S,6S,8aR)-5-(acetyloxymethyl)-6-(hydroxymethyl)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl]ester [(2S,4aS,5S,6S,8aR)-5-(acetoxymethyl)-6-(hydroxymethyl)-1,1,4a-trimethyl-decalin-2-yl]benzoate [(2S,4aS,5S,6S,8aR)-5-(acetyloxymethyl)-6-(hydroxymethyl)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl]benzoate benzoic acid [(2S,4aS,5S,6S,8aR)-5-(acetyloxymethyl)-6-(hydroxymethyl)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] ester [(2S,4aS,5S,6S,8aR)-5-(acetoxymethyl)-6-(hydroxymethyl)-1,1,4a-trimethyl-decalin-2-yl] benzoate [(2S,4aS,5S,6S,8aR)-5-(acetyloxymethyl)-6-(hydroxymethyl)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] benzoate |
| Wiley ID | 1562284 |