| SpectraBase Compound ID | 1HbBJcQ4JWw |
|---|---|
| InChI | InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24+,25?,26-,27-,29-,30+,31?,32-/m1/s1 |
| InChIKey | UDXDFWBZZQHDRO-YQQFWIMISA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C32H52O2 |
| Exact Mass | 468.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KAQwUzw97fO |
|---|---|
| Name | 18-.alpha.H-urs-12-en-3-.alpha.-ylacetate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O2 |
| InChI | InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24+,25?,26-,27-,29-,30+,31?,32-/m1/s1 |
| InChIKey | UDXDFWBZZQHDRO-YQQFWIMISA-N |
| Molecular Weight | 468.766 g/mol |
| SMILES | C1=2C([C@@]3(CC[C@@]4([C@@](C3CC2)(CC[C@@](OC(=O)C)(C4(C)C)[H])C)[H])C)(CC[C@@]2([C@@]1([C@]([C@@](CC2)(C)[H])(C)[H])[H])C)C |
| SPLASH | splash10-0006-9000000000-ecfeceab55965fbeaaad |
| Source of Spectrum | Y1-35-1083-14 |
| Wiley ID | 1526803 |