![Sitosteryl glucuronate [stigmast-5-en-3.beta.-yl glucuronate]](/api/spectrum/I0Kd2hhC2LH/structure.png?h=300&w=458 "Sitosteryl glucuronate [stigmast-5-en-3.beta.-yl glucuronate]")
| SpectraBase Compound ID | 12r4rDJv30N |
|---|---|
| InChI | InChI=1S/C35H58O7/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(14-16-34(22,5)27(24)15-17-35(25,26)6)41-33(40)31-29(37)28(36)30(38)32(39)42-31/h10,19-21,23-32,36-39H,7-9,11-18H2,1-6H3/t20-,21?,23+,24?,25-,26?,27?,28+,29+,30-,31+,32-,34?,35?/m1/s1 |
| InChIKey | IBSPXIJRSOBNSH-GKZQWEKPSA-N |
| Mol Weight | 590.8 g/mol |
| Molecular Formula | C35H58O7 |
| Exact Mass | 590.418254 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I0Kd2hhC2LH |
|---|---|
| Name | Sitosteryl glucuronate [stigmast-5-en-3.beta.-yl glucuronate] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H58O7 |
| InChI | InChI=1S/C35H58O7/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(14-16-34(22,5)27(24)15-17-35(25,26)6)41-33(40)31-29(37)28(36)30(38)32(39)42-31/h10,19-21,23-32,36-39H,7-9,11-18H2,1-6H3/t20-,21?,23+,24?,25-,26?,27?,28+,29+,30-,31+,32-,34?,35?/m1/s1 |
| InChIKey | IBSPXIJRSOBNSH-GKZQWEKPSA-N |
| Molecular Weight | 590.842 g/mol |
| SMILES | O[C@]1([C@@]([C@]([C@@]([C@](O1)(C(O[C@@]1(CC2=CCC3C4CC[C@@](C4(CCC3C2(CC1)C)C)([C@@](CCC(C(C)C)CC)(C)[H])[H])[H])=O)[H])(O)[H])(O)[H])(O)[H])[H] |
| SPLASH | splash10-0r01-9633100000-9bf5fbd9a6509e43013a |
| Source of Spectrum | Y1-41-2392-3 |
| Wiley ID | 1565078 |