![TRANS-METHYL-3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA,21-EPOXYCHOLA-4,20(21),22-TRIENOLIDE](/api/spectrum/5eCuwyhQ73n/structure.png?h=300&w=458 "TRANS-METHYL-3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA,21-EPOXYCHOLA-4,20(21),22-TRIENOLIDE")
| SpectraBase Compound ID | 97YFej7fvja |
|---|---|
| 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-SVUAITEESA-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 | 5eCuwyhQ73n |
|---|---|
| Name | TRANS-METHYL-3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA,21-EPOXYCHOLA-4,20(21),22-TRIENOLIDE |
| 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-SVUAITEESA-N |
| Literature Reference Author | J.MORI,S.I.NAGAI,J.SAKAKIBARA,K.TAKEYA,Y.HOTTA |
| Literature Reference Citation | CHEM.PHARM.BULL.,36,48(1988) |
| Literature Reference DOI | 10.1248/cpb.36.48 |
| Molecular Weight | 544.686 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1466 |