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AG008UKF

Name: Dihydro-FK506
Brand: Angene Chemical
SKU: AG008UKF

104987-30-6 | Dihydro-FK506

Chemical structure of Dihydro-FK506, CAS 104987-30-6

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CAS Number	104987-30-6
Catalog Number	AG008UKF(AGN-PC-0OU39T)
Chemical Name	Dihydro-FK506
IUPAC Name	(1R,9S,12S,13R,14S,17R,18E,21S,23S,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-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
InChI	InChI=1S/C44H71NO12/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/h19,21,26,28-34,36-40,46-47,52H,10-18,20,22-24H2,1-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40?,44+/m0/s1
InChI Key	RQYGKZGKXDOUEO-HHRHWXIDSA-N
MDL Number	MFCD20487791
Molecular Formula	C44H71NO12
Molecular Weight	806.0340
SMILES	CCC[C@@H]1C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(=C[C@@H]4CC[C@@H](O)[C@@H](C4)OC)C
Synonyms	Dihydro-FK 506, Dihydrotacrolimus, 104987-30-6, SCHEMBL13817861, RQYGKZGKXDOUEO-HHRHWXIDSA-N, C44H71NO12, X8444, Z-3109, (3S,4R,5S,8R,9E,12S,14S)-3-[1-(3beta-Methoxy-4alpha-hydroxycyclohexane-1beta-ylmethylene)ethyl]-4,10,12-trimethyl-5-hydroxy-8-propyl-14-methoxy-1,14-[2alpha,1-piperidinediyloxalyl(3beta-methoxy-5beta-methyl-6beta-hydroxytetrahydro-2H-pyran-6,2-diyl)]-2-oxa-9-tetradecene-1,7-dione, Tsukubamycin B, Dihydro-FK-506, Unable to generate value, UNII-0SDH06DWVW, Dihydro-fk-506, (-)-, Tacrolimus impurity, tacrolimus 8-propyl analog- [USP],

Complexity	1450
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	13
Defined Bond Stereocenter Count	2
Exact Mass	805.498g/mol
Formal Charge	0
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	806.047g/mol
Monoisotopic Mass	805.498g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	178A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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