| SpectraBase Compound ID | 9auBH4vIcEa |
|---|---|
| InChI | InChI=1S/C33H52O2/c1-20(2)25(21(3)4)11-10-22(5)27-14-15-29-26-12-13-28-23(6)31(35-24(7)34)17-19-33(28,9)30(26)16-18-32(27,29)8/h10-12,21-23,25,27-31H,1,13-19H2,2-9H3/b11-10+/t22-,23+,25?,27?,28+,29?,30?,31?,32-,33+/m1/s1 |
| InChIKey | VWFXIEBOCWDTRN-MDJVUFMISA-N |
| Mol Weight | 480.8 g/mol |
| Molecular Formula | C33H52O2 |
| Exact Mass | 480.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LwRGtTcxKBT |
|---|---|
| Name | 3-Acetoxyviolastere A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H52O2 |
| InChI | InChI=1S/C33H52O2/c1-20(2)25(21(3)4)11-10-22(5)27-14-15-29-26-12-13-28-23(6)31(35-24(7)34)17-19-33(28,9)30(26)16-18-32(27,29)8/h10-12,21-23,25,27-31H,1,13-19H2,2-9H3/b11-10+/t22-,23+,25?,27?,28+,29?,30?,31?,32-,33+/m1/s1 |
| InChIKey | VWFXIEBOCWDTRN-MDJVUFMISA-N |
| Molecular Weight | 480.777 g/mol |
| SMILES | C1=2C([C@]3(CCC([C@]([C@@]3(CC2)[H])(C)[H])OC(=O)C)C)CC[C@]2(C1CCC2[C@@](\C=C\C(C(=C)C)C(C)C)(C)[H])C |
| SPLASH | splash10-004r-0927600000-63ae6e968c9744fc0919 |
| Source of Spectrum | QA-40-306-1 |
| Wiley ID | 861544 |