| SpectraBase Spectrum ID |
3TbzMvfLCdw |
| Name |
3-Phenyl-5,10-secocholesta-1(10),2-dien-5-one |
| Alternate Name(s) |
(3R,3aR,5aS,13aR,13bS)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-9-phenyl-1,2,3,3a,4,5,5a,10,12,13,13a,13b-dodecahydro-11H-cyclodeca[e]inden-11-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H48O |
| InChI |
InChI=1S/C33H48O/c1-23(2)10-9-11-25(4)31-18-19-32-30-17-16-28(34)22-27(26-12-7-6-8-13-26)15-14-24(3)29(30)20-21-33(31,32)5/h6-8,12-15,23,25,29-32H,9-11,16-22H2,1-5H3/b24-14-,27-15+/t25-,29-,30-,31-,32+,33-/m1/s1 |
| InChIKey |
QHGCCZKXFRFCAH-QVJNNKLXSA-N |
| Molecular Weight |
460.746 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC(C\C(=C/C=C\([C@]3(CC2)[H])C)c2ccccc2)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-03di-0000900000-6c034d45dc3a2b12769f |
| Source of Spectrum |
J-59-4399-24 |
| Wiley ID |
1390702 |
