| SpectraBase Compound ID | KfFvfuxCS4I |
|---|---|
| InChI | InChI=1S/C29H49O4P/c1-20(2)9-8-10-21(3)25-13-14-26-24-12-11-22-19-23(33-34(30,31-6)32-7)15-17-28(22,4)27(24)16-18-29(25,26)5/h11-12,20-21,23,25-27H,8-10,13-19H2,1-7H3/t21-,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | CJAGIQIVXLFHRV-JGVHCFLESA-N |
| Mol Weight | 492.7 g/mol |
| Molecular Formula | C29H49O4P |
| Exact Mass | 492.336847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FWQeZ8SqSNn |
|---|---|
| Name | Cholesta-5,7-dien-3-ol, dimethyl phosphate, (3.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 492.336847052 u |
| Formula | C29H49O4P |
| InChI | InChI=1S/C29H49O4P/c1-20(2)9-8-10-21(3)25-13-14-26-24-12-11-22-19-23(33-34(30,31-6)32-7)15-17-28(22,4)27(24)16-18-29(25,26)5/h11-12,20-21,23,25-27H,8-10,13-19H2,1-7H3/t21-,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | CJAGIQIVXLFHRV-JGVHCFLESA-N |
| Molecular Weight | 492.681 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@](OP(=O)(OC)OC)(CC2=CC1)[H])C)[H])[H] |