| SpectraBase Compound ID | 7TXw3tdjeO6 |
|---|---|
| InChI | InChI=1S/C30H52/c1-19(2)21(4)30(7)18-27(30)20(3)24-13-14-25-23-12-11-22-10-8-9-16-28(22,5)26(23)15-17-29(24,25)6/h19-27H,8-18H2,1-7H3 |
| InChIKey | HMDSENZCYXUARJ-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C30H52 |
| Exact Mass | 412.406902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KiCPCS6Uzti |
|---|---|
| Name | Gorgostane, (5.alpha.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.406901674 u |
| Formula | C30H52 |
| InChI | InChI=1S/C30H52/c1-19(2)21(4)30(7)18-27(30)20(3)24-13-14-25-23-12-11-22-10-8-9-16-28(22,5)26(23)15-17-29(24,25)6/h19-27H,8-18H2,1-7H3 |
| InChIKey | HMDSENZCYXUARJ-UHFFFAOYSA-N |
| Molecular Weight | 412.746 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(CC3)CCCC2)CCC1C(C)C1C(C(C(C)C)C)(C)C1 |