![(3SR,3aRS,4SR,9aRS)-4-Benzyl-3-isopropyl-1,2,3,4,9,9a-hexahydro-3aH-cyclopenta[b]-naphthalen-3a-ol](/api/spectrum/9qpVqyYIANx/structure.png?h=300&w=458 "(3SR,3aRS,4SR,9aRS)-4-Benzyl-3-isopropyl-1,2,3,4,9,9a-hexahydro-3aH-cyclopenta[b]-naphthalen-3a-ol")
| SpectraBase Compound ID | GjXmV0N7rqZ |
|---|---|
| InChI | InChI=1S/C23H28O/c1-16(2)21-13-12-19-15-18-10-6-7-11-20(18)22(23(19,21)24)14-17-8-4-3-5-9-17/h3-11,16,19,21-22,24H,12-15H2,1-2H3/t19-,21-,22+,23-/m1/s1 |
| InChIKey | VQEXUNNGTZBVRJ-XBYSBRQOSA-N |
| Mol Weight | 320.48 g/mol |
| Molecular Formula | C23H28O |
| Exact Mass | 320.214016 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9qpVqyYIANx |
|---|---|
| Name | (3SR,3aRS,4SR,9aRS)-4-Benzyl-3-isopropyl-1,2,3,4,9,9a-hexahydro-3aH-cyclopenta[b]-naphthalen-3a-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28O |
| InChI | InChI=1S/C23H28O/c1-16(2)21-13-12-19-15-18-10-6-7-11-20(18)22(23(19,21)24)14-17-8-4-3-5-9-17/h3-11,16,19,21-22,24H,12-15H2,1-2H3/t19-,21-,22+,23-/m1/s1 |
| InChIKey | VQEXUNNGTZBVRJ-XBYSBRQOSA-N |
| Literature Reference DOI | 10.1021/ol901183h |
| Molecular Weight | 320.476 g/mol |
| SMILES | O[C@@]12[C@](CC[C@]1([H])Cc1ccccc1[C@@]2(Cc1ccccc1)[H])(C(C)C)[H] |
| SPLASH | splash10-00fr-3479000000-7905b602be03913e6e0c |
| Source of Spectrum | A1-11-3334/SM15-24a |
| Synonyms | (3R,3aR,4S,9aR)-4-benzyl-3-isopropyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-3a-ol (3R,3aR,4S,9aR)-4-benzyl-3-propan-2-yl-1,2,3,4,9,9a-hexahydrocyclopenta[b]naphthalen-3a-ol (3R,3aR,4S,9aR)-4-benzyl-3-isopropyl-1,2,3,4,9,9a-hexahydrocyclopenta[b]naphthalen-3a-ol (3R,3aR,4S,9aR)-4-(phenylmethyl)-3-propan-2-yl-1,2,3,4,9,9a-hexahydrocyclopenta[b]naphthalen-3a-ol |
| Wiley ID | 1757023 |