| SpectraBase Compound ID | KURhSHGbEH8 |
|---|---|
| InChI | InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h9-10,19,23-27H,7-8,11-18H2,1-6H3/b20-9-/t23?,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | ZIGPUMCZEUYNPF-HFFCDXEOSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C29H46O2 |
| Exact Mass | 426.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AV7pfEDe6Po |
|---|---|
| Name | Cholest-5,20(22)-diene-3B-ol acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.349780719 u |
| Formula | C29H46O2 |
| InChI | InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h9-10,19,23-27H,7-8,11-18H2,1-6H3/b20-9-/t23?,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | ZIGPUMCZEUYNPF-HFFCDXEOSA-N |
| Molecular Weight | 426.685 g/mol |
| SMILES | C1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(\C(=C/CCC(C)C)C)[H])[H])C)[H])[H])C)OC(=O)C |