| SpectraBase Spectrum ID |
JUeriaVv0i3 |
| Name |
3-HYDROXYCHOLEST-4-EN-6-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
400.334130655 u |
| Formula |
C27H44O2 |
| InChI |
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-23,28H,6-14,16H2,1-5H3/t18-,19?,20+,21-,22+,23+,26-,27-/m1/s1 |
| InChIKey |
NCHPULCZWCKWHV-WVZKRWNYSA-N |
| Molecular Weight |
400.647 g/mol |
| Nominal Mass |
400 u |
| Number of Peaks |
300 |
| SMILES |
OC1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC(C2=C1)=O)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C |
| SPLASH |
splash10-0udi-9811500000-f408d314db5d6c11fc05 |
| Source File Reference |
LMCM-31957-390E |
| Synonyms |
17-(1,5-DIMETHYL-HEXYL)-3-HYDROXY-10,13-DIMETHYL-1,2,3,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-6-ONE
(1S,2R,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-8-one |
| Wiley ID |
8_8122 |
