SpectraBase Compound ID | 6n4kLlxFMZn |
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InChI | InChI=1S/C24H42O/c1-17(7-6-16-25)20-11-12-21-19-10-9-18-8-4-5-14-23(18,2)22(19)13-15-24(20,21)3/h17-22,25H,4-16H2,1-3H3/t17-,18?,19+,20-,21+,22+,23+,24-/m1/s1 |
InChIKey | ZWJSLCYDYKYAGX-BRPMRXRMSA-N |
Mol Weight | 346.6 g/mol |
Molecular Formula | C24H42O |
Exact Mass | 346.323566 g/mol |
SpectraBase Spectrum ID | DK7zozWJdN2 |
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Name | Cholan-24-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 346.323565971 u |
Formula | C24H42O |
InChI | InChI=1S/C24H42O/c1-17(7-6-16-25)20-11-12-21-19-10-9-18-8-4-5-14-23(18,2)22(19)13-15-24(20,21)3/h17-22,25H,4-16H2,1-3H3/t17-,18?,19+,20-,21+,22+,23+,24-/m1/s1 |
InChIKey | ZWJSLCYDYKYAGX-BRPMRXRMSA-N |
Molecular Weight | 346.599 g/mol |
SMILES | C1CC[C@]2(C(C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCO)(C)[H])[H])[H])C)[H])[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894579 |