| SpectraBase Compound ID | F1fUUk7Kxiy |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-9,19-21,23-24,26,28H,10-18H2,1-7H3/b9-8+/t20-,21+,23?,24?,26+,28-,29-,30+/m0/s1 |
| InChIKey | HZVPNPSHLHXAAJ-JUSKCIETSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8TDXF2zhWxe |
|---|---|
| Name | 8(14),22-Ergostadienol acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.365430784 u |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-9,19-21,23-24,26,28H,10-18H2,1-7H3/b9-8+/t20-,21+,23?,24?,26+,28-,29-,30+/m0/s1 |
| InChIKey | HZVPNPSHLHXAAJ-JUSKCIETSA-N |
| Molecular Weight | 440.712 g/mol |
| SMILES | C1(CC[C@]2(C(C1)CCC=1[C@@]2(CC[C@]2(C1CC[C@@]2([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])C)[H])C)OC(C)=O |