Catalogue Number
BD-D1304
Analysis Method
HPLC,NMR,MS
Specification
98%(HPLC)
Storage
2-8℃
Molecular Weight
732.64
Appearance
White crystalline powder
Botanical Source
Structure Type
Phenylpropanoids
Category
Standards;Natural Pytochemical;API
SMILES
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
Synonyms
3-Benzofurancarboxylic acid, 2-(3,4-dihydroxyphenyl)-4-[(1E)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-methoxy-2-oxoethoxy]-3-oxo-1-propen-1-yl]-2,3-dihydro-7-hydroxy-, (1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester, (2R,3R)-/(2R)-3-(3,4-Dihydroxyphenyl)-2-[({(2R,3R)-2-(3,4-dihydroxyphenyl)-4-[(1E)-3-{[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}-3-oxo-1-propen-1-yl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-yl}carbonyl)oxy]propanoic acid/9'-Methyl lithospermate B/9''-Methyl salvianolate B
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
Applications
9''-Methyl salvianolate B is a phenolic compound isolated from Radix Salvia miltiorrhizae[1].
Density
1.6±0.1 g/cm3
Solubility
Methanol; Ethyl Acetate; Water
Flash Point
310.9±27.8 °C
Boiling Point
992.9±65.0 °C at 760 mmHg
Melting Point
InChl
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
InChl Key
HBYGJMZNCIGGFN-CNJKJOQLSA-N
WGK Germany
RID/ADR
HS Code Reference
2938900000
Personal Projective Equipment
Correct Usage
For Reference Standard and R&D, Not for Human Use Directly.
Meta Tag
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