![3-BETA-[(2,3,4-TRI-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA-O-METHOXYMETHYL-BUFA-4,20,22-TRIENOLIDE](/api/spectrum/A8eHzaxKB5Y/structure.png?h=300&w=458 "3-BETA-[(2,3,4-TRI-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA-O-METHOXYMETHYL-BUFA-4,20,22-TRIENOLIDE")
| SpectraBase Compound ID | GJsOm1seQpv |
|---|---|
| InChI | InChI=1S/C38H52O12/c1-21-32(47-22(2)39)33(48-23(3)40)34(49-24(4)41)35(46-21)50-27-12-15-36(5)26(18-27)9-10-30-29(36)13-16-37(6)28(25-8-11-31(42)44-19-25)14-17-38(30,37)45-20-43-7/h8,11,18-19,21,27-30,32-35H,9-10,12-17,20H2,1-7H3/t21-,27-,28+,29-,30+,32-,33+,34+,35+,36-,37+,38-/m0/s1 |
| InChIKey | YANIEYPECHGZAV-BUBSXBLXSA-N |
| Mol Weight | 700.8 g/mol |
| Molecular Formula | C38H52O12 |
| Exact Mass | 700.345877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8eHzaxKB5Y |
|---|---|
| Name | 3-BETA-[(2,3,4-TRI-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA-O-METHOXYMETHYL-BUFA-4,20,22-TRIENOLIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H52O12 |
| InChI | InChI=1S/C38H52O12/c1-21-32(47-22(2)39)33(48-23(3)40)34(49-24(4)41)35(46-21)50-27-12-15-36(5)26(18-27)9-10-30-29(36)13-16-37(6)28(25-8-11-31(42)44-19-25)14-17-38(30,37)45-20-43-7/h8,11,18-19,21,27-30,32-35H,9-10,12-17,20H2,1-7H3/t21-,27-,28+,29-,30+,32-,33+,34+,35+,36-,37+,38-/m0/s1 |
| InChIKey | YANIEYPECHGZAV-BUBSXBLXSA-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 | 700.824 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1470 |