Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information:
9''-Methyl salvianolate B (9'-methyllithospermate B, 9'-Methyl lithospermate B, 9'''-Methyl salvianolate B) is an active constituent in ethanol extract of RadixSalviae Miltiorrhizae.
| ALogP | 4.943 |
|---|---|
| Recuento HBD | 7 |
| Enlace rotable | 15 |
| Pubchem Sid | 504772785 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772785 |
| Sonrisas canónicas | COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O |
| IUPAC Name | (2R)-3-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxypropanoic acid |
| InChIKey | HBYGJMZNCIGGFN-CNJKJOQLSA-N |
| INCHI | 1S/C37H32O16/c1-50-36(48)29(15-18-3-8-22(39)26(43)13-18)51-30(45)11-6-19-4-10-24(41)34-31(19)32(33(53-34)20-5-9-23(40)27(44)16-20)37(49)52-28(35(46)47)14-17-2-7-21(38)25(42)12-17/h2-13,16,28-29,32-33,38-44H,14-15H2,1H3,(H,46,47)/b11-6+/t28-,29-,32-,33+/m1/s1 |
| Isómeros SMILES | COC(=O)[C@@H](CC1=CC(=C(C=C1)O)O)OC(=O)/C=C/C2=C3[C@H]([C@@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O[C@H](CC5=CC(=C(C=C5)O)O)C(=O)O |
| PubChem CID | 102004853 |
| Peso molecular | 732.64 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Mar 13, 2026 | M412875 | |
| Certificate of Analysis | Mar 13, 2026 | M412875 | |
| Certificate of Analysis | Mar 13, 2026 | M412875 | |
| Certificate of Analysis | Mar 13, 2026 | M412875 | |
| Certificate of Analysis | Mar 13, 2026 | M412875 | |
| Certificate of Analysis | Mar 13, 2026 | M412875 | |
| Certificate of Analysis | Mar 13, 2026 | M412875 | |
| Certificate of Analysis | Mar 13, 2026 | M412875 |
| Solubilidad | Solubility (25°C) In vitro DMSO: 100 mg/mL (136.49 mM); |
|---|---|
| DMSO (mg/ml) Solubilidad máxima | 100 |
| DMSO (mM) Solubilidad máxima | 136.492683992138 |
| Agua (mg/ml) Solubilidad máxima | -1 |