SpectraBase Compound ID | FqVgSGCOBiM |
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InChI | InChI=1S/C29H34O10/c1-25(15-30)8-7-22(31)27(3)28(25,33)10-9-26(2)29(27,34)14-17-19(39-26)13-18(38-24(17)32)16-11-20(35-4)23(37-6)21(12-16)36-5/h7-8,11-13,30,33-34H,9-10,14-15H2,1-6H3/t25?,26?,27?,28-,29-/m1/s1 |
InChIKey | PXIKKOJKOBCLTQ-BSRKSAPBSA-N |
Mol Weight | 542.6 g/mol |
Molecular Formula | C29H34O10 |
Exact Mass | 542.215197 g/mol |
SpectraBase Spectrum ID | 6mwvNpmDKZR |
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Name | MB-2 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C29H34O10 |
InChI | InChI=1S/C29H34O10/c1-25(15-30)8-7-22(31)27(3)28(25,33)10-9-26(2)29(27,34)14-17-19(39-26)13-18(38-24(17)32)16-11-20(35-4)23(37-6)21(12-16)36-5/h7-8,11-13,30,33-34H,9-10,14-15H2,1-6H3/t25?,26?,27?,28-,29-/m1/s1 |
InChIKey | PXIKKOJKOBCLTQ-BSRKSAPBSA-N |
Molecular Weight | 542.581 g/mol |
SMILES | OCC1(C=CC(C2([C@]1(CCC1([C@@]2(CC2=C(O1)C=C(OC2=O)c1cc(OC)c(c(c1)OC)OC)O)C)O)C)=O)C |
SPLASH | splash10-0002-0924040000-08181c0e6b8dd926b445 |
Source of Spectrum | X2-55-255-4 |
Synonyms | Territrem b-metabolite |
Wiley ID | 1604345 |