| SpectraBase Spectrum ID |
E9vR8eDHhFB |
| Name |
Lactone of 3.alpha.-Hydroxy-2.beta.-methylcholestan-2.alpha.-acetic acid |
| Alternate Name(s) |
(1R,3aS,3bR,6aS,9aS,10aS,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-9a,10a,12a-trimethyloctadecahydro-8H-cyclopenta[7,8]phenanthro[2,3-b]furan-8-one |
| CAS Registry Number |
69309-29-1 |
| 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)23-12-13-24-22-11-10-21-16-26-28(4,17-27(31)32-26)18-30(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 |
KPMTYQMSUPSPJV-UAVNPFEHSA-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(OC(C[C@@]2(C1)C)=O)[H])[H])C |
| SPLASH |
splash10-000l-0080900000-dd72aab89fe196512bd6 |
| Source of Spectrum |
J-44-1379-0 |
| Wiley ID |
1385601 |
