| SpectraBase Compound ID | 1EsZROQpDlh |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-26-23(11-12-27(21,22)5)28(6)19(14-24(26)30)13-20(29)15-25(28)31/h7-8,14,16-18,20-26,29-31H,9-13,15H2,1-6H3/b8-7+/t17?,18?,20-,21?,22?,23?,24+,25-,26?,27+,28-/m0/s1 |
| InChIKey | JONUAVOYQQTXRP-IIAPLHTBSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8qJj6ZXjJlD |
|---|---|
| Name | (22E)-Methylcholesta-5,22-diene-1,3,7-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-26-23(11-12-27(21,22)5)28(6)19(14-24(26)30)13-20(29)15-25(28)31/h7-8,14,16-18,20-26,29-31H,9-13,15H2,1-6H3/b8-7+/t17?,18?,20-,21?,22?,23?,24+,25-,26?,27+,28-/m0/s1 |
| InChIKey | JONUAVOYQQTXRP-IIAPLHTBSA-N |
| Molecular Weight | 430.673 g/mol |
| SMILES | O[C@@]1(C=C2[C@]([C@](C[C@](C2)(O)[H])(O)[H])(C2CC[C@@]3(C(CCC3C12)C(\C=C\C(C(C)C)C)C)C)C)[H] |
| SPLASH | splash10-001i-0814900000-66faabdade36066e2419 |
| Source of Spectrum | E1-58-1638-2 |
| Wiley ID | 1661923 |