AG00C4U8

Name: Asperulosidic acid
Brand: Angene Chemical
SKU: AG00C4U8

25368-11-0 | Asperulosidic acid

AG00C4U8

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CAS Number	25368-11-0
Catalog Number	AG00C4U8(AGN-PC-0R15TF)
Chemical Name	Asperulosidic acid
IUPAC Name	(1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
InChI	InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
InChI Key	DGDWCRWJRNMRKX-DILZHRMZSA-N
MDL Number	MFCD21333373
Molecular Formula	C18H24O12
Molecular Weight	432.3760
SMILES	O([C@H]1[C@]2([C@@](C(C(O)=O)=CO1)([C@@H](O)C=C2COC(C)=O)[H])[H])[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O
Synonyms	asperulosidic acid, Asperulosidic acid, 25368-11-0, CHEMBL460030, Asperuloside acid, SCHEMBL422107, MEGxp0_000737, ACon1_001484, BDBM50202632, ZINC31157455, MCULE-2172211039, NCGC00180458-01, NCGC00180458-02, Asperulosidic acid, >=90% (LC/MS-ELSD), BRD-K47416262-001-01-9, ACN-056837, C18-H24-O12, CID11968867, C432744,

Complexity	733
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	432.127g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	432.378g/mol
Monoisotopic Mass	432.127g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	192A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.2

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