SpectraBase Compound ID | 9eW2mKjH3oo |
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InChI | InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)25-24(28)17-23-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h17-22,25H,6-16H2,1-5H3 |
InChIKey | PAQKQNDJMRZSHY-UHFFFAOYSA-N |
Mol Weight | 384.6 g/mol |
Molecular Formula | C27H44O |
Exact Mass | 384.339216 g/mol |
SpectraBase Spectrum ID | 69dRQ5aR1L7 |
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Name | Cholest-14-en-16-one, (5.alpha.)- |
CAS Registry Number | 54725-43-8 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C27H44O |
InChI | InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)25-24(28)17-23-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h17-22,25H,6-16H2,1-5H3 |
InChIKey | PAQKQNDJMRZSHY-UHFFFAOYSA-N |
Molecular Weight | 384.648 g/mol |
SMILES | CC12C(C3C(CC2)C2(C)C(CC3)CCCC2)=CC(C1C(CCCC(C)C)C)=O |
SPLASH | splash10-00di-8981000000-62fc3461c62d3944b91f |
Source of Spectrum | SD-1981-0-0 |
Synonyms | Cholest-14-en-16-one 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,7,8,9,11,12,17-dodecahydrocyclopenta[a]phenanthren-16-one 17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,17-dodecahydrocyclopenta[a]phenanthren-16-one |
Wiley ID | 1361939 |