| SpectraBase Spectrum ID |
DYphIpx2eA8 |
| Name |
Lactone of 2.alpha.-Hydroxy-3.beta.-methylcholestan-3.alpha.-acetic acid |
| Alternate Name(s) |
(1R,3aS,3bR,6aR,9aR,10aS,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-6a,10a,12a-trimethyloctadecahydro-8H-cyclopenta[7,8]phenanthro[3,2-b]furan-8-one |
| CAS Registry Number |
69309-32-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O2 |
| InChI |
InChI=1S/C30H50O2/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-16-28(4)18-27(31)32-26(28)17-30(21,6)25(22)14-15-29(23,24)5/h19-26H,7-18H2,1-6H3/t20-,21?,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1 |
| InChIKey |
UGOOWRKRUAEOOY-UOZDAHRHSA-N |
| Molecular Weight |
442.728 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CCC2C[C@@]2(CC(O[C@@]2(C1)[H])=O)C)[H])C |
| SPLASH |
splash10-0006-0020900000-d21692d2bd7b496bd229 |
| Source of Spectrum |
J-44-1378-0 |
| Wiley ID |
1385602 |
