![Cholest-5-en-3-ol, 25-[(tetrahydro-2H-pyran-2-yl)oxy]-, acetate, (3.beta.)-](/api/spectrum/48WhX6ic9Mp/structure.png?h=300&w=458 "Cholest-5-en-3-ol, 25-[(tetrahydro-2H-pyran-2-yl)oxy]-, acetate, (3.beta.)-")
| SpectraBase Compound ID | I49neso7Vw9 |
|---|---|
| InChI | InChI=1S/C34H56O4/c1-23(10-9-18-32(3,4)38-31-11-7-8-21-36-31)28-14-15-29-27-13-12-25-22-26(37-24(2)35)16-19-33(25,5)30(27)17-20-34(28,29)6/h12,23,26-31H,7-11,13-22H2,1-6H3/t23-,26+,27?,28-,29?,30?,31?,33+,34-/m1/s1 |
| InChIKey | UGQUXVJCQOGZBU-IJHFEAJCSA-N |
| Mol Weight | 528.8 g/mol |
| Molecular Formula | C34H56O4 |
| Exact Mass | 528.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 48WhX6ic9Mp |
|---|---|
| Name | Cholest-5-en-3-ol, 25-[(tetrahydro-2H-pyran-2-yl)oxy]-, acetate, (3.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 528.417860279 u |
| Formula | C34H56O4 |
| InChI | InChI=1S/C34H56O4/c1-23(10-9-18-32(3,4)38-31-11-7-8-21-36-31)28-14-15-29-27-13-12-25-22-26(37-24(2)35)16-19-33(25,5)30(27)17-20-34(28,29)6/h12,23,26-31H,7-11,13-22H2,1-6H3/t23-,26+,27?,28-,29?,30?,31?,33+,34-/m1/s1 |
| InChIKey | UGQUXVJCQOGZBU-IJHFEAJCSA-N |
| Molecular Weight | 528.818 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CC[C@@]1([C@@](CCCC(OC1OCCCC1)(C)C)(C)[H])[H])C |