![METHYL-3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA,21-EPOXY-22-METHOXYCHOLA-4,20-DIEN-24-OATE](/api/spectrum/BB2yhdGALf2/structure.png?h=300&w=458 "METHYL-3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA,21-EPOXY-22-METHOXYCHOLA-4,20-DIEN-24-OATE")
| SpectraBase Compound ID | 7vsvJldszZ4 |
|---|---|
| InChI | InChI=1S/C31H44O8/c1-17-25(33)26(34)27(35)28(38-17)39-20-9-12-29(2)19(15-20)6-7-23-22(29)10-13-30(3)21-11-14-31(23,30)37-16-18(21)5-8-24(32)36-4/h5,8,15-17,20-23,25-28,33-35H,6-7,9-14H2,1-4H3/b8-5+/t17-,20-,21+,22?,23+,25-,26+,27+,28+,29-,30+,31?/m0/s1 |
| InChIKey | KHGXSGGOJSAQTO-YRKXGJFFSA-N |
| Mol Weight | 544.7 g/mol |
| Molecular Formula | C31H44O8 |
| Exact Mass | 544.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BB2yhdGALf2 |
|---|---|
| Name | METHYL-3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA,21-EPOXY-22-METHOXYCHOLA-4,20-DIEN-24-OATE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O8 |
| InChI | InChI=1S/C31H44O8/c1-17-25(33)26(34)27(35)28(38-17)39-20-9-12-29(2)19(15-20)6-7-23-22(29)10-13-30(3)21-11-14-31(23,30)37-16-18(21)5-8-24(32)36-4/h5,8,15-17,20-23,25-28,33-35H,6-7,9-14H2,1-4H3/b8-5+/t17-,20-,21+,22?,23+,25-,26+,27+,28+,29-,30+,31?/m0/s1 |
| InChIKey | KHGXSGGOJSAQTO-YRKXGJFFSA-N |
| Literature Reference Author | T.TANASE,N.MURAKAMI,A.NAGATSU,J.SAKAKIBARA |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2217(1993) |
| Literature Reference DOI | 10.1039/p19930002217 |
| Molecular Weight | 544.686 g/mol |
| Solvent | CDCl3 |