| SpectraBase Spectrum ID |
60E2Fyj43A8 |
| Name |
3-[3-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)PROPYL]-3-METHYLCHOLESTAN-1-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
556.485545918 u |
| 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/t26-,27?,28+,29-,30+,31+,35?,36-,37+/m1/s1 |
| InChIKey |
YRDCGDXVPUMEGW-DOYLYIIKSA-N |
| Molecular Weight |
556.916 g/mol |
| Nominal Mass |
556 u |
| Number of Peaks |
388 |
| SMILES |
C1(CC([C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)=O)(C)CCCC1OCC(CO1)(C)C |
| SPLASH |
splash10-014i-6911110000-f3f887f1ef9d65188ad1 |
| Source File Reference |
LMCM-19140-071X |
| Synonyms |
(1S,2S,10S,11S,14R,15R)-5-[3-(5,5-dimethyl-1,3-dioxan-2-yl)propyl]-2,5,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-3-one
3-[3-(5,5-DIMETHYL-[1,3]DIOXAN-2-YL)-PROPYL]-17-(1,5-DIMETHYL-HEXYL)-3,10,13-TRIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-1-ONE |
| Wiley ID |
8_8396 |
![3-[3-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)PROPYL]-3-METHYLCHOLESTAN-1-ONE](/api/spectrum/60E2Fyj43A8/structure.png?h=300&w=458 "3-[3-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)PROPYL]-3-METHYLCHOLESTAN-1-ONE")
