| SpectraBase Compound ID | 19aulS7kW7F |
|---|---|
| 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/h7,9-10,19-20,23-27H,8,11-18H2,1-6H3/b9-7+/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1 |
| InChIKey | CJUZRVVXJPNXNH-ZRAFXDQUSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C29H46O2 |
| Exact Mass | 426.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CSzZFu372nc |
|---|---|
| Name | (trans)-.delta(22).-dehydrocholesterol - acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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/h7,9-10,19-20,23-27H,8,11-18H2,1-6H3/b9-7+/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1 |
| InChIKey | CJUZRVVXJPNXNH-ZRAFXDQUSA-N |
| Molecular Weight | 426.685 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CCC1[C@@](\C=C\CC(C)C)(C)[H])C |
| SPLASH | splash10-0ldi-0139000000-15bc7b5ef6e00c2830ee |
| Source of Spectrum | Y4-84-268-2 |
| Wiley ID | 1550116 |