| SpectraBase Spectrum ID |
HDCELjoubsF |
| Name |
Methyl 3.beta.-Hydroxy-24-norchola-5,7-dien-23-oate |
| Alternate Name(s) |
Methyl (3R)-3-[(2R,5S,11R,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-14-yl]butanoate |
| CAS Registry Number |
75716-74-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H36O3 |
| InChI |
InChI=1S/C24H36O3/c1-15(13-22(26)27-4)19-7-8-20-18-6-5-16-14-17(25)9-11-23(16,2)21(18)10-12-24(19,20)3/h5-6,15,17,19-21,25H,7-14H2,1-4H3/t15-,17+,19-,20+,21?,23+,24-/m1/s1 |
| InChIKey |
AGEYIUWEKKYAPU-OEHDATPQSA-N |
| Molecular Weight |
372.549 g/mol |
| SMILES |
O[C@@]1(CC2=CC=C3[C@]4([C@]([C@]([C@@](CC(=O)OC)(C)[H])([H])CC4)(C)CCC3[C@]2(CC1)C)[H])[H] |
| SPLASH |
splash10-0fk9-0409000000-5b00f531d3f6d75f6c1b |
| Source of Spectrum |
J-46-457-0 |
| Wiley ID |
1355821 |
