![(1S,3aR,5aS,9aS,9bR)-1,3a,6,6,9a-pentamethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e]benzofuran-2-one](/api/spectrum/BtXc1BZdTCO/structure.png?h=300&w=458 "(1S,3aR,5aS,9aS,9bR)-1,3a,6,6,9a-pentamethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e]benzofuran-2-one")
| SpectraBase Compound ID | G77RtL8E6yd |
|---|---|
| InChI | InChI=1S/C17H28O2/c1-11-13-16(4)9-6-8-15(2,3)12(16)7-10-17(13,5)19-14(11)18/h11-13H,6-10H2,1-5H3/t11-,12-,13+,16-,17+/m0/s1 |
| InChIKey | YZHYHZRBXLJINJ-LVSLPLRBSA-N |
| Mol Weight | 264.41 g/mol |
| Molecular Formula | C17H28O2 |
| Exact Mass | 264.20893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BtXc1BZdTCO |
|---|---|
| Name | (1S,3aR,5aS,9aS,9bR)-1,3a,6,6,9a-pentamethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e]benzofuran-2-one |
| CAS Registry Number | 106672-02-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H28O2 |
| InChI | InChI=1S/C17H28O2/c1-11-13-16(4)9-6-8-15(2,3)12(16)7-10-17(13,5)19-14(11)18/h11-13H,6-10H2,1-5H3/t11-,12-,13+,16-,17+/m0/s1 |
| InChIKey | YZHYHZRBXLJINJ-LVSLPLRBSA-N |
| Molecular Weight | 264.409 g/mol |
| SMILES | [C@]12([C@@]3([C@@](OC([C@]3(C)[H])=O)(C)CC[C@]1(C(C)(C)CCC2)[H])[H])C |
| SPLASH | splash10-001i-9100000000-7fa965ca252f64670ae4 |
| Source of Spectrum | H-69-165-0 |
| Synonyms | (+)-11.beta.-methyl-sclareolide (+)-11.alpha.-methyl-sclareolide Naphtho[2,1-b]furan-2(1H)-one, decahydro-1,3a,6,6,9a-pentamethyl-, [1S-(1.alpha.,3a.beta.,5a.alpha.,9a.beta.,9b.alpha.)]- (1S,3aR,5aS,9aS,9bR)-1,3a,6,6,9a-pentamethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one pehydro-1.beta.,3a.beta.,6,6,9a.beta.-pentamethyl-trans-3a-transoid-9a,9b-trans-5a-naphtho[2,1-b]furan-2-one Perhydro-1.alpha.,3a.beta.,6,6,9a.beta.-pentamethyl-trans-3a-transoid-9a,9b-trans-5a-naphtho[2,1-b]furan-2-one |
| Wiley ID | 1268454 |