| SpectraBase Compound ID | 9IRjBwmCMg2 |
|---|---|
| InChI | InChI=1S/C35H56O7/c1-19-26(36)27(37)28(38)29(41-19)42-25-12-14-34(7)23(32(25,4)5)11-13-33(6)21-10-15-35(30(39)40)17-16-31(2,3)18-22(35)20(21)8-9-24(33)34/h19,22-29,36-38H,8-18H2,1-7H3,(H,39,40)/t19-,22?,23?,24?,25+,26-,27+,28-,29+,33+,34+,35-/m1/s1 |
| InChIKey | OFFCNBAVUQWPCF-SVZBIUENSA-N |
| Mol Weight | 588.8 g/mol |
| Molecular Formula | C35H56O7 |
| Exact Mass | 588.402604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5e250UBFyME |
|---|---|
| Name | INERMISIDE-II;6-DEOXY-BETA-D-GLUCOPYRANOSYL-PYROCINCHOLATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O7 |
| InChI | InChI=1S/C35H56O7/c1-19-26(36)27(37)28(38)29(41-19)42-25-12-14-34(7)23(32(25,4)5)11-13-33(6)21-10-15-35(30(39)40)17-16-31(2,3)18-22(35)20(21)8-9-24(33)34/h19,22-29,36-38H,8-18H2,1-7H3,(H,39,40)/t19-,22?,23?,24?,25+,26-,27+,28-,29+,33+,34+,35-/m1/s1 |
| InChIKey | OFFCNBAVUQWPCF-SVZBIUENSA-N |
| Literature Reference Author | Z.H.CHENG,B.Y.YU,X.W.YANG |
| Literature Reference Citation | PHYTOCHEM.,61,379(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00244-3 |
| Molecular Weight | 588.825 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU29363 |