AG009EG2

Name: 8-Epitacrolimus
Brand: Angene Chemical
SKU: AG009EG2

129212-35-7 | 8-Epitacrolimus

AG009EG2

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COA

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WARNING This product is not for human or veterinary use.

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CAS Number	129212-35-7
Catalog Number	AG009EG2(AGN-PC-0WBNIP)
Chemical Name	8-Epitacrolimus
IUPAC Name	(1R,9S,12S,13R,14S,17S,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
InChI	InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31-,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
InChI Key	QJJXYPPXXYFBGM-NCGCDJFJSA-N
MDL Number	MFCD28358827
Molecular Formula	C44H69NO12
Molecular Weight	804.0182
SMILES	CO[C@@H]1C[C@@H](CC[C@H]1O)C=C(/C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C[C@H](CC=C)C(=O)C[C@H](O)[C@H]2C)C)OC)[C@H](C[C@H]4C)OC
Synonyms	8-Epitacrolimus, 8-epi Tacrolimus, SCHEMBL2266233, SCHEMBL2266237, 129212-35-7,

Complexity	1480
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	14
Defined Bond Stereocenter Count	2
Exact Mass	803.482g/mol
Formal Charge	0
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	804.031g/mol
Monoisotopic Mass	803.482g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	178A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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