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AG00BY5G

Name: Safflower Yellow
Brand: Angene Chemical
SKU: AG00BY5G

36338-96-2 | Safflower Yellow

Chemical structure of Safflower Yellow, CAS 36338-96-2

AG00BY5G

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CAS Number	36338-96-2
Catalog Number	AG00BY5G(AGN-PC-0RC1MB)
Chemical Name	Safflower Yellow
EC Number	252-981-1
IUPAC Name	(2Z,6S)-5,6-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[[(3S)-2,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl]methylidene]cyclohex-4-ene-1,3-dione
InChI	InChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13-/t24-,25-,30-,31-,32+,33+,34-,35-,40-,41-,42+,43-/m1/s1
InChI Key	WLYGSPLCNKYESI-RSUQVHIMSA-N
MDL Number	MFCD00151135
Molecular Formula	C43H42O22
Molecular Weight	910.7804
SMILES	O[C@@]1(C(=O)/C(=CC2=C(O)[C@](O)(C(O)=C(C(/C=C/C3=CC=C(O)C=C3)=O)C2=O)[C@@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[H])/C(=O)C(C(/C=C/C5=CC=C(O)C=C5)=O)=C1O)[C@@]6(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[H]
UNII	P9ZT730WWS
Synonyms	carthamin, carthamine, Carthamine, UNII-P9ZT730WWS, P9ZT730WWS, Carthamin, 36338-96-2, C.I. Natural Red 26, Carthamus, Liofresh Red CR, Carthamus Red AP, SCHEMBL121899, CHEBI:80810, EINECS 252-981-1, C43H42O22, AKOS030526139, ZINC169700568, AS-18743, X1223, C16941, 4-Cyclohexene-1,3-dione, 6-beta-D-glucopyranosyl-2-((3-beta-D-glucopyranosyl-2,3,4-trihydroxy-5-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-6-oxo-1,4-cyclohexadien-1-yl)methylene)-5,6-dihydroxy-4-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-, 6-beta-D-Glucopyranosyl-2-((3-beta-D-glucopyranosyl-2,3,4-trihydroxy-5-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-6-oxo-1,4-cyclohexadien-1-yl)methylene)-5,6-dihydroxy-4-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-4-cyclohexene-1,3-dione, Safflower Yellow, Safflower red, Safflower Yellower, Natural Red 26, c0779,

Complexity	2100
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	12
Defined Bond Stereocenter Count	3
Exact Mass	910.217g/mol
Formal Charge	0
Heavy Atom Count	65
Hydrogen Bond Acceptor Count	22
Hydrogen Bond Donor Count	15
Isotope Atom Count	0
Molecular Weight	910.787g/mol
Monoisotopic Mass	910.217g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	407A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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CERTIFICATE OF ANALYSIS

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited