SpectraBase Compound ID | I9qLDgeCNWW |
---|---|
InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24+,25+,26+,27-/m1/s1 |
InChIKey | IOIZWEJGGCZDOL-BXLWXSRCSA-N |
Mol Weight | 400.6 g/mol |
Molecular Formula | C27H44O2 |
Exact Mass | 400.334131 g/mol |
SpectraBase Spectrum ID | 5mOOn0gy2Mz |
---|---|
Name | Cholest-4-en-3-one, 7-hydroxy-, (7.beta.)- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 400.334130655 u |
Formula | C27H44O2 |
InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24+,25+,26+,27-/m1/s1 |
InChIKey | IOIZWEJGGCZDOL-BXLWXSRCSA-N |
Molecular Weight | 400.647 g/mol |
SMILES | C1(CC[C@@]2(C)C(=C1)C[C@@]([C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])([C@@](CCCC(C)C)(C)[H])[H])[H])[H])(O)[H])=O |