![3-[3-(5,5-Dimethyl-[1,3]dioxan-2-yl)propyl]-17-(1,5-dimethylhexyl)-3,10,13-trimethylhexadecahydrocyclopenta[a]phenanthren-1-one](/api/spectrum/DauJ4ERMaXC/structure.png?h=300&w=458 "3-[3-(5,5-Dimethyl-[1,3]dioxan-2-yl)propyl]-17-(1,5-dimethylhexyl)-3,10,13-trimethylhexadecahydrocyclopenta[a]phenanthren-1-one")
| SpectraBase Compound ID | EBMlTXinsUF |
|---|---|
| InChI | InChI=1S/C37H64O3/c1-25(2)11-9-12-26(3)29-16-17-30-28-15-14-27-21-35(6,19-10-13-33-39-23-34(4,5)24-40-33)22-32(38)37(27,8)31(28)18-20-36(29,30)7/h25-31,33H,9-24H2,1-8H3 |
| InChIKey | YRDCGDXVPUMEGW-UHFFFAOYSA-N |
| Mol Weight | 556.9 g/mol |
| Molecular Formula | C37H64O3 |
| Exact Mass | 556.485546 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DauJ4ERMaXC |
|---|---|
| Name | 3-[3-(5,5-Dimethyl-[1,3]dioxan-2-yl)propyl]-17-(1,5-dimethylhexyl)-3,10,13-trimethylhexadecahydrocyclopenta[a]phenanthren-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H64O3 |
| InChI | InChI=1S/C37H64O3/c1-25(2)11-9-12-26(3)29-16-17-30-28-15-14-27-21-35(6,19-10-13-33-39-23-34(4,5)24-40-33)22-32(38)37(27,8)31(28)18-20-36(29,30)7/h25-31,33H,9-24H2,1-8H3 |
| InChIKey | YRDCGDXVPUMEGW-UHFFFAOYSA-N |
| Molecular Weight | 556.916 g/mol |
| SMILES | C1(OCC(CO1)(C)C)CCCC1(CC(C2(C3CCC4(C(CCC4C3CCC2C1)C(CCCC(C)C)C)C)C)=O)C |
| SPLASH | splash10-014i-6911110000-9ee1a305e2e2ee6c0aea |
| Synonyms | 3-[3-(5,5-dimethyl-1,3-dioxan-2-yl)propyl]-17-(1,5-dimethylhexyl)-3,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-1-one 3-[3-(5,5-dimethyl-1,3-dioxan-2-yl)propyl]-3,10,13-trimethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-1-one 3-[3-(5,5-Dimethyl-1,3-dioxan-2-yl)propyl]-3-methylcholestan-1-one |
| Wiley ID | 1475062 |