![TRANS-METHYL-3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-21-NOR-20-OXO-14-BETA-HYDROXYCHOLA-4,22-DIENOATE](/api/spectrum/IqnoWfHI3ji/structure.png?h=300&w=458 "TRANS-METHYL-3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-21-NOR-20-OXO-14-BETA-HYDROXYCHOLA-4,22-DIENOATE")
| SpectraBase Compound ID | 1iEq8dDS1qj |
|---|---|
| InChI | InChI=1S/C30H44O9/c1-16-24(33)25(34)26(35)27(38-16)39-18-9-12-28(2)17(15-18)5-6-20-19(28)10-13-29(3)21(11-14-30(20,29)36)22(31)7-8-23(32)37-4/h7-8,15-16,18-21,24-27,33-36H,5-6,9-14H2,1-4H3/b8-7+/t16-,18-,19-,20+,21+,24-,25+,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | GYMNRFUBYSIXTD-XNTBHIQUSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C30H44O9 |
| Exact Mass | 548.298533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqnoWfHI3ji |
|---|---|
| Name | TRANS-METHYL-3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-21-NOR-20-OXO-14-BETA-HYDROXYCHOLA-4,22-DIENOATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O9 |
| InChI | InChI=1S/C30H44O9/c1-16-24(33)25(34)26(35)27(38-16)39-18-9-12-28(2)17(15-18)5-6-20-19(28)10-13-29(3)21(11-14-30(20,29)36)22(31)7-8-23(32)37-4/h7-8,15-16,18-21,24-27,33-36H,5-6,9-14H2,1-4H3/b8-7+/t16-,18-,19-,20+,21+,24-,25+,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | GYMNRFUBYSIXTD-XNTBHIQUSA-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 | 548.674 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1469 |