| SpectraBase Spectrum ID |
3GlqCrHiNtJ |
| Name |
Methyl 7alpha-hydroxy-3,3-ethylenedioxy-5beta-cholanoate |
| CAS Registry Number |
54852-40-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O5 |
| InChI |
InChI=1S/C27H44O5/c1-17(5-8-23(29)30-4)19-6-7-20-24-21(9-10-26(19,20)3)25(2)11-12-27(31-13-14-32-27)16-18(25)15-22(24)28/h17-22,24,28H,5-16H2,1-4H3/t17-,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1 |
| InChIKey |
DXMYOONEGIUYNB-NPJWREJRSA-N |
| Molecular Weight |
448.644 g/mol |
| SMILES |
O[C@]1([C@]2([C@]3([C@@]([C@](CC3)([C@@](CCC(=O)OC)(C)[H])[H])(CC[C@@]2([C@@]2([C@](CC3(CC2)OCCO3)([H])C1)C)[H])C)[H])[H])[H] |
| SPLASH |
splash10-0abd-8923000000-fce66de1fb576ab7d9d8 |
| Source of Spectrum |
W5-1989-7196-1 |
| Synonyms |
Methyl (4R)-4-[(1'S,2'S,7'R,9'R,10'R,11'S,14'R,15'R)-9'-hydroxy-2',15'-dimethylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-14'-yl]pentanoate
Methyl 7.alpha.-hydroxy-3,3-ethylenedioxy-5.beta.-cholanoate |
| Wiley ID |
1387293 |
