| SpectraBase Compound ID | 9T4K0uK5TX0 |
|---|---|
| InChI | InChI=1S/C43H70O15/c1-38(2)12-14-43(37(53)54-7)15-13-41(5)21(22(43)16-38)8-9-27-39(3)17-23(47)34(40(4,20-46)26(39)10-11-42(27,41)6)58-36-32(52)33(29(49)25(19-45)56-36)57-35-31(51)30(50)28(48)24(18-44)55-35/h8,22-36,44-52H,9-20H2,1-7H3/t22-,23-,24+,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,39-,40-,41+,42+,43-/m0/s1 |
| InChIKey | VSABHICCNOWHSU-QFWQXPKLSA-N |
| Mol Weight | 827.0 g/mol |
| Molecular Formula | C43H70O15 |
| Exact Mass | 826.471472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPHZbad7cNG |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE-BAYOGENIN-METHYLESTER |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H70O15 |
| InChI | InChI=1S/C43H70O15/c1-38(2)12-14-43(37(53)54-7)15-13-41(5)21(22(43)16-38)8-9-27-39(3)17-23(47)34(40(4,20-46)26(39)10-11-42(27,41)6)58-36-32(52)33(29(49)25(19-45)56-36)57-35-31(51)30(50)28(48)24(18-44)55-35/h8,22-36,44-52H,9-20H2,1-7H3/t22-,23-,24+,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,39-,40-,41+,42+,43-/m0/s1 |
| InChIKey | VSABHICCNOWHSU-QFWQXPKLSA-N |
| Literature Reference Author | Y.SHAO,B.N.ZHOU,L.Z.LIN,G.A.CORDELL |
| Literature Reference Citation | PHYTOCHEM.,38,927(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00744-E |
| Molecular Weight | 827.020 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS3797 |