lithos­per­mic acid B CAS 121521-90-2

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Iden­ti­fi­ca­tion

CAS Number

121521-90-2

Name

lithos­per­mic acid B

Syn­onyms

(2R)-2-({(2E)-3-[(2S,3S)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid
(2R)-2-({(2E)-3-[(2S,3S)-3-{[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid [ACD/IUPAC Name]
(2R)-2-({(2E)-3-[(2S,3S)-3-{[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propansäure [Ger­man] [ACD/IUPAC Name]
(2S,3S)-4-[(1E)-3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid 3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester
121521-90-2 [RN]
3-Ben­­zo­­fu­ran­­car­boxylic acid, 4-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] es ter, (2S,3S)- [ACD/​Index Name]
Acide (2R)-2-({(2E)-3-[(2S,3S)-3-{[1-carboxy-2-(3,4-dihydroxyphényl)éthoxy]carbonyl}-2-(3,4-dihydroxyphényl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphényl)propanoïqu e [French] [ACD/IUPAC Name]
Dan Shen Suan B
Dan­fen­suan B
DF6492107
lithos­per­mic acid B
MFCD23115783
sal­viano­lic acid B
115939-25-8 [RN]
4-((E)-2-(1-Carboxy-2-(3,4-dihydroxy-phenyl)-ethoxycarbonyl)-vinyl)-2-(3,4-dihydroxy-phenyl)-7-hydroxy-2,3-dihydro-benzofuran-3-carboxylic acid 2-carboxy-3-(3,4-dihydroxy-phenyl)-propyl ester
4-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid (2S,3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester
4-{(E)-2-[1-Carboxy-2-(3,4-dihydroxy-phenyl)-ethoxycarbonyl]-vinyl}-2-(3,4-dihydroxy-phenyl)-7-hydroxy-2,3-dihydro-benzofuran-3-carboxylic acid 2-carboxy-3-(3,4-dihydroxy-phenyl)-propyl ester
83415-79-6 [RN]
Dan Shen Suan B;Lithospermic acid B
MFCD07779133 [MDL number]

SMILES

c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c3c2[C@@H]([C@H](O3)c4ccc(c(c4)O)O)C(=O)OC(Cc5ccc(c(c5)O)O)C(=O)O)O)O)O

Std­InChI

InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1

Std­InChIKey

SNK­F­FCBZYFGC­QN-VWUOOIFGSA-N

Mol­e­c­u­lar Formula

C₃₆H₃₀O₁₆

Mol­e­c­u­lar Weight

718.61

MDL Number

MFCD23115783

Prop­er­ties

Appear­ance

Brown Pow­der

Safe­ty Data

RIDADR 

NONH for all modes of transport 

WGK Germany

3

RTECS 

DF6492107

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our lithos­per­mic acid B CAS 121521-90-2 

Iden­ti­fi­ca­tion Methods

HPLC

Caf­feine

≤2.0%

Sal­viano­lic acid B

≥50.0%

Par­ti­cle Size

Pass 80 mesh : ≥90.0%

Loss on drying

≤5.0%

Ash

≤5.0%

Heavy met­al

≤10ppm

Pb

≤0.5ppm

As

≤0.3ppm

Hg

≤0.1ppm

Cd

≤1.0ppm

Total Plate Count

≤1000 cfu/​g

Yeast&Mold

≤100 cfu/​g

E.Coil

Neg­a­tive

Sal­mo­nel­la

Neg­a­tive

Shelf Life

2 years

Stor­age

Store incool & dry place ; Keep away from strong and hear.

Known Appli­ca­tion

Used as a raw mate­r­i­al for salvia tablets and injections.

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