| SpectraBase Compound ID | DcqqLzrQMxS |
|---|---|
| InChI | InChI=1S/C36H60O7/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(15-17-35(23,5)28(25)16-18-36(26,27)6)42-34-31(39)29(37)30(38)32(43-34)33(40)41-7/h11,20-22,24-32,34,37-39H,8-10,12-19H2,1-7H3/t21?,22?,24?,25?,26?,27?,28?,29-,30-,31+,32-,34+,35?,36?/m0/s1 |
| InChIKey | BFBBMJBDORNZLN-OZWAPGTBSA-N |
| Mol Weight | 604.9 g/mol |
| Molecular Formula | C36H60O7 |
| Exact Mass | 604.433904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8C4fS0ruEb |
|---|---|
| Name | METHYL-(SITOSTEROL_3-O-BETA-D-GLUCURONOPYRANOSIDE)-URONATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H60O7 |
| InChI | InChI=1S/C36H60O7/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(15-17-35(23,5)28(25)16-18-36(26,27)6)42-34-31(39)29(37)30(38)32(43-34)33(40)41-7/h11,20-22,24-32,34,37-39H,8-10,12-19H2,1-7H3/t21?,22?,24?,25?,26?,27?,28?,29-,30-,31+,32-,34+,35?,36?/m0/s1 |
| InChIKey | BFBBMJBDORNZLN-OZWAPGTBSA-N |
| Literature Reference Author | E.A.JARES,M.C.TETTAMANZI,A.B.POMILIO |
| Literature Reference Citation | PHYTOCHEM.,29,340(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)89069-L |
| Molecular Weight | 604.868 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ25403 |