| SpectraBase Compound ID | 5gNZ7R9XZvC |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-17-9-10-26(5)11-12-27(6)19(23(26)18(17)2)15-20(31)24-28(27,7)13-14-30-25(3,4)21(32)16-22(33-34-30)29(24,30)8/h15,17-18,20,22-24,31H,9-14,16H2,1-8H3/t17-,18+,20-,22?,23?,24?,26-,27-,28-,29-,30?/m1/s1 |
| InChIKey | OCQVIAYBPXDENN-XLXUDFPNSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hr2xVoeiL4h |
|---|---|
| Name | 1.alpha., 5.alpha.-dioxy-11.alpha.-hydroxy-urS-12-en-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-17-9-10-26(5)11-12-27(6)19(23(26)18(17)2)15-20(31)24-28(27,7)13-14-30-25(3,4)21(32)16-22(33-34-30)29(24,30)8/h15,17-18,20,22-24,31H,9-14,16H2,1-8H3/t17-,18+,20-,22?,23?,24?,26-,27-,28-,29-,30?/m1/s1 |
| InChIKey | OCQVIAYBPXDENN-XLXUDFPNSA-N |
| Molecular Weight | 470.694 g/mol |
| SMILES | O[C@@]1(C=C2C3[C@@](CC[C@]([C@@]3(C)[H])(C)[H])(C)CC[C@]2([C@]2(C1[C@@]1(C3(C(C(=O)CC1OO3)(C)C)CC2)C)C)C)[H] |
| SPLASH | splash10-0006-9300100000-743a30952c9c75bbba58 |
| Source of Spectrum | G4-71-549-2 |
| Wiley ID | 1694949 |