| SpectraBase Spectrum ID |
H6pm6X5u4Wr |
| Name |
Ethyl 3.beta.-acetoxy-6,16-dioxo-24-nor-cholan-23-oate |
| Alternate Name(s) |
Ethyl (3R)-3-[(1S,2R,5S,10R,11S,14R,15S)-5-(acetyloxy)-2,15-dimethyl-8,13-dioxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]butanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O6 |
| InChI |
InChI=1S/C27H40O6/c1-6-32-24(31)11-15(2)25-23(30)14-20-18-13-22(29)21-12-17(33-16(3)28)7-9-26(21,4)19(18)8-10-27(20,25)5/h15,17-21,25H,6-14H2,1-5H3/t15-,17+,18-,19+,20+,21?,25+,26-,27+/m1/s1 |
| InChIKey |
LSAOHRNFZATXGD-SUVRWFESSA-N |
| Molecular Weight |
460.611 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC(=O)C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC([C@@]1([C@@](CC(=O)OCC)(C)[H])[H])=O)[H])C |
| SPLASH |
splash10-0002-0001900000-383bf022a0c7de312e6f |
| Source of Spectrum |
X4-19-183-0 |
| Wiley ID |
1585618 |
