| SpectraBase Compound ID | 8GkEbk7r9cp |
|---|---|
| InChI | InChI=1S/C20H36O3/c1-13(9-11-21)6-7-15-14(2)16(22)12-17-19(3,4)18(23)8-10-20(15,17)5/h13,15-18,21-23H,2,6-12H2,1,3-5H3/t13-,15+,16-,17+,18+,20-/m1/s1 |
| InChIKey | BQRSRWIWZMFVMG-SUQNTFLGSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C20H36O3 |
| Exact Mass | 324.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KW6br2nJFPT |
|---|---|
| Name | (-)-(13S)-labd-8(17)-ene-3.beta.,7.alpha.,15-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H36O3 |
| InChI | InChI=1S/C20H36O3/c1-13(9-11-21)6-7-15-14(2)16(22)12-17-19(3,4)18(23)8-10-20(15,17)5/h13,15-18,21-23H,2,6-12H2,1,3-5H3/t13-,15+,16-,17+,18+,20-/m1/s1 |
| InChIKey | BQRSRWIWZMFVMG-SUQNTFLGSA-N |
| Molecular Weight | 324.505 g/mol |
| SMILES | O[C@@]1(C([C@]2([C@@]([C@@](CC[C@](CCO)(C)[H])(C([C@@](C2)(O)[H])=C)[H])(CC1)C)[H])(C)C)[H] |
| SPLASH | splash10-05fr-2932000000-51f0fbcc3e6f674a664d |
| Source of Spectrum | AT-38-2084-2 |
| Wiley ID | 853789 |