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AG00C0X8

Name: WITHANOLIDE A(P)
Brand: Angene Chemical
SKU: AG00C0X8

32911-62-9 | WITHANOLIDE A(P)

Chemical structure of WITHANOLIDE A(P), CAS 32911-62-9

AG00C0X8

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CAS Number	32911-62-9
Catalog Number	AG00C0X8(AGN-PC-0R8C1F)
Chemical Name	WITHANOLIDE A(P)
IUPAC Name	(1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
InChI	InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1
InChI Key	DXWHOKCXBGLTMQ-SFQAJKIESA-N
MDL Number	MFCD07779143
Molecular Formula	C28H38O6
Molecular Weight	470.5977
SMILES	C[C@@]12[C@@]3([C@@]([C@]4([C@](O4)([C@@]1(O)CC=CC2=O)[H])[H])([C@]5([C@](C)(CC3)[C@@]([C@@](C)(O)[C@]6(CC(C)=C(C)C(=O)O6)[H])(CC5)[H])[H])[H])[H]
UNII	V903234S8G
Synonyms	(20R,22R)-O-(3)-alpha-L-rhamnopyranosyl(1-4)-beta-D-glucopyranosyl-1 alpha,12 beta-diacetoxy-20-hydroxywitha-5,24-dienolide, 3-rhamnopyranosyl(1-4)-glucopyranosyl-12-diacetoxy-20-hydroxywitha-5,24-dienolide, withanolide 1, Withanolide A, withanolide A, 32911-62-9, UNII-V903234S8G, V903234S8G, Withanolide A, (+)-, WITHANOLIDE A(P), CHEMBL445041, Withanolide A (constituent of ashwagandha root) [DSC], DTXSID70461487, Withanolide A, analytical standard, Withanolide A, >=95% (HPLC), ZINC44306907, (5alpha,6alpha,7alpha,22R)-5,20-Dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,26-dione, Withanolide A, United States Pharmacopeia (USP) Reference Standard, (5\|A,6\|A,7\|A,22R)-6,7-Epoxy-5,20,22-trihydroxy-1-oxo-ergosta-2,24-dien-26-oic acid \|A-lactone, DEOWD, CID11294368,

Complexity	1030
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	11
Defined Bond Stereocenter Count	0
Exact Mass	470.267g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	470.606g/mol
Monoisotopic Mass	470.267g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	96.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited