AG00DGQB

Name: Delphinidin 3-O-β-sambubioside chloride
Brand: Angene Chemical
SKU: AG00DGQB

53158-73-9 | Delphinidin 3-O-β-sambubioside chloride

AG00DGQB

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CAS Number	53158-73-9
Catalog Number	AG00DGQB(AGN-PC-0SEJ2R)
Chemical Name	Delphinidin 3-O-β-sambubioside chloride
IUPAC Name	(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;chloride
InChI	InChI=1S/C26H28O16.ClH/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8;/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33);1H/t14-,17-,19+,20-,21+,22-,24-,25+,26-;/m1./s1
InChI Key	BNDHUCYNCNEUSY-CPXTURKASA-N
MDL Number	MFCD21363975
Molecular Formula	C26H29ClO16
Molecular Weight	632.9519
SMILES	O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C(O)=C3)[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5)[C@@H](O)[C@H](O)[C@@H](CO)O4.[Cl-]
Synonyms	Delphinidin-3-sambubioside chloride, 53158-73-9, AKOS030573525, DELPHINIDIN-3-O-SAMBUBIOSIDE CHLORIDE,

Complexity	871
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	632.114g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	11
Isotope Atom Count	0
Molecular Weight	632.952g/mol
Monoisotopic Mass	632.114g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	260A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited