| SpectraBase Compound ID | DjNgTOEHywR |
|---|---|
| InChI | InChI=1S/C33H54O3/c1-20-11-14-30(6)17-18-32(8)23(27(30)21(20)2)19-24(35-10)28-31(7)15-13-26(36-22(3)34)29(4,5)25(31)12-16-33(28,32)9/h19-21,24-28H,11-18H2,1-10H3/t20-,21+,24-,25?,26+,27?,28-,30-,31+,32-,33-/m1/s1 |
| InChIKey | CECSFLXHDJRFSA-RTFZPBRGSA-N |
| Mol Weight | 498.8 g/mol |
| Molecular Formula | C33H54O3 |
| Exact Mass | 498.407296 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DoUedEbL8Gh |
|---|---|
| Name | 3.beta.-Acetocy-11.alpha-.methoxy-12-ursene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H54O3 |
| InChI | InChI=1S/C33H54O3/c1-20-11-14-30(6)17-18-32(8)23(27(30)21(20)2)19-24(35-10)28-31(7)15-13-26(36-22(3)34)29(4,5)25(31)12-16-33(28,32)9/h19-21,24-28H,11-18H2,1-10H3/t20-,21+,24-,25?,26+,27?,28-,30-,31+,32-,33-/m1/s1 |
| InChIKey | CECSFLXHDJRFSA-RTFZPBRGSA-N |
| Molecular Weight | 498.792 g/mol |
| SMILES | C1=2[C@]([C@@]3(CCC4[C@@]([C@]3([C@@](C2)(OC)[H])[H])(CC[C@](OC(=O)C)(C4(C)C)[H])C)C)(CC[C@@]2(C1[C@]([C@@](CC2)(C)[H])(C)[H])C)C |
| SPLASH | splash10-066r-0011900000-7c62e2547a66efa338eb |
| Source of Spectrum | E2-48-595-1 |
| Synonyms | 3.beta.-Acetocy-11..alpha.-.methoxy-12-ursene |
| Wiley ID | 1555147 |