![TRANS-3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA,21-EPOXYCHOLA-4,20(21),22-TRIENOIC-ACID](/api/spectrum/C20U6kAjMzL/structure.png?h=300&w=458 "TRANS-3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA,21-EPOXYCHOLA-4,20(21),22-TRIENOIC-ACID")
| SpectraBase Compound ID | E6W4dh27IpX |
|---|---|
| InChI | InChI=1S/C30H42O8/c1-16-24(33)25(34)26(35)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20-10-13-30(22,29)36-15-17(20)4-7-23(31)32/h4,7,14-16,19-22,24-27,33-35H,5-6,8-13H2,1-3H3,(H,31,32)/b7-4+/t16-,19-,20+,21-,22+,24-,25+,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | CXTOHYJCYUQZPB-HDMKWFMWSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C30H42O8 |
| Exact Mass | 530.287968 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C20U6kAjMzL |
|---|---|
| Name | TRANS-3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA,21-EPOXYCHOLA-4,20(21),22-TRIENOIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O8 |
| InChI | InChI=1S/C30H42O8/c1-16-24(33)25(34)26(35)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20-10-13-30(22,29)36-15-17(20)4-7-23(31)32/h4,7,14-16,19-22,24-27,33-35H,5-6,8-13H2,1-3H3,(H,31,32)/b7-4+/t16-,19-,20+,21-,22+,24-,25+,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | CXTOHYJCYUQZPB-HDMKWFMWSA-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 | 530.659 g/mol |
| Solvent | CDCl3:DMSO-D6=2:1 |
| Source File Reference | UWBK1467 |