| SpectraBase Compound ID | 7wDZ7a8P4sh |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-18(2)19(3)8-9-20(4)24-10-11-25-28-26(13-15-30(24,25)7)29(6)14-12-23(32)16-22(29)17-27(28)33-21(5)31/h17-18,20,23-28,32H,3,8-16H2,1-2,4-7H3/t20?,23-,24?,25?,26?,27-,28?,29-,30+/m0/s1 |
| InChIKey | GVTHEVPCTJNYEF-LFRWJZJASA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wcSZqROTKK |
|---|---|
| Name | 7.beta.-Acetoxy-3-desulfonylannaster-3.beta.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.360345403 u |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-18(2)19(3)8-9-20(4)24-10-11-25-28-26(13-15-30(24,25)7)29(6)14-12-23(32)16-22(29)17-27(28)33-21(5)31/h17-18,20,23-28,32H,3,8-16H2,1-2,4-7H3/t20?,23-,24?,25?,26?,27-,28?,29-,30+/m0/s1 |
| InChIKey | GVTHEVPCTJNYEF-LFRWJZJASA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | [C@]12(C(C3C([C@@]4(C(C[C@@](O)(CC4)[H])=C[C@@]3(OC(=O)C)[H])C)CC1)CCC2C(CCC(=C)C(C)C)C)C |