BREVISCAPIN

cas: 116122-36-2 — see every product listed under this CAS number, including other names

BREVISCAPIN (CAS 116122-36-2) is a chemical reagent available from Chemat. Available pack sizes: 5g. Offered by: GLPBio.

brandGLPBio
catalog numberGC26168-5000
cas116122-36-2
size5g
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Available pack sizes

brand size price
GLPBio 5g 554.92 Pln

properties

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delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 116122-36-2) is a chemical compound with the molecular formula C21H18O12 and a molecular weight of 462.4 g/mol. IUPAC name: 6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: DJSISFGPUUYILV-UHFFFAOYSA-N.

Identity
Molecular formulaC21H18O12
Molecular weight462.4 g/mol
IUPAC name6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyDJSISFGPUUYILV-UHFFFAOYSA-N
SMILESC1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Breviscapine, scutellarin [M+H]+, s3810
Related forms of this compound
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
(2S,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
6,7-dihydroxy-14-methoxy-13-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione C21H18O12
6,14-dihydroxy-7-methoxy-13-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione C21H18O12
6-hydroxy-7,14-dimethoxy-13-(3,4,5-trihydroxyoxan-2-yl)oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione C21H18O12
(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12

Also listed as

Breviscapine, 95.59% MedChemExpress CAS 116122-36-2
Breviscapine, 80% Chemat CAS 116122-36-2