![3-BETA-[(2,3,4-TRI-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA-O-ETHOXYMETHYL-BUFA-4,20,22-TRIENOLIDE](/api/spectrum/C01VnEb0W5b/structure.png?h=300&w=458 "3-BETA-[(2,3,4-TRI-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA-O-ETHOXYMETHYL-BUFA-4,20,22-TRIENOLIDE")
| SpectraBase Compound ID | K7j2pRFkQxz |
|---|---|
| InChI | InChI=1S/C39H54O12/c1-8-44-21-46-39-18-15-29(26-9-12-32(43)45-20-26)38(39,7)17-14-30-31(39)11-10-27-19-28(13-16-37(27,30)6)51-36-35(50-25(5)42)34(49-24(4)41)33(22(2)47-36)48-23(3)40/h9,12,19-20,22,28-31,33-36H,8,10-11,13-18,21H2,1-7H3/t22-,28-,29+,30-,31+,33-,34+,35-,36+,37-,38+,39-/m0/s1 |
| InChIKey | KMGUXOAPWFDQHK-ZFQJEZDXSA-N |
| Mol Weight | 714.8 g/mol |
| Molecular Formula | C39H54O12 |
| Exact Mass | 714.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C01VnEb0W5b |
|---|---|
| Name | 3-BETA-[(2,3,4-TRI-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA-O-ETHOXYMETHYL-BUFA-4,20,22-TRIENOLIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O12 |
| InChI | InChI=1S/C39H54O12/c1-8-44-21-46-39-18-15-29(26-9-12-32(43)45-20-26)38(39,7)17-14-30-31(39)11-10-27-19-28(13-16-37(27,30)6)51-36-35(50-25(5)42)34(49-24(4)41)33(22(2)47-36)48-23(3)40/h9,12,19-20,22,28-31,33-36H,8,10-11,13-18,21H2,1-7H3/t22-,28-,29+,30-,31+,33-,34+,35-,36+,37-,38+,39-/m0/s1 |
| InChIKey | KMGUXOAPWFDQHK-ZFQJEZDXSA-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 | 714.851 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1472 |