AG00IKIX

7681-93-8 | 6,11,28-Trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid,22-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-,(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-

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CAS Number	7681-93-8
Catalog Number	AG00IKIX(AGN-PC-0UAKVA)
Chemical Name	6,11,28-Trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid,22-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-,(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-
EC Number	231-683-5
IUPAC Name	(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid
InChI	InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32+,33-/m1/s1
InChI Key	NCXMLFZGDNKEPB-FFPOYIOWSA-N
MDL Number	MFCD00135085
Molecular Formula	C33H47NO13
Molecular Weight	665.7252
SMILES	N[C@@H]1[C@@H]([C@@H](O[C@@H]([C@H]1O)C)O[C@H]1/C=C/C=C/C=C/C=C/C[C@H](OC(/C=C/[C@H]2O[C@@H]2C[C@@H](C[C@@]2(C[C@@H]([C@H]([C@H](C1)O2)C(=O)O)O)O)O)=O)C)O
UNII	8O0C852CPO
Synonyms	Myprozine, Natamycin, Pimafucin, Pimaricin, Tennecetin, NATAMYCIN, pimaricin, 7681-93-8, Natamycinum, Natamicina, Natamycine, Natamycin(Pimaricin), Tennecetin, UNII-8O0C852CPO, Delvocid, Mycophyt, Myprozine, Pimafucin, Synogil, Antibiotic A-5283, Natacyn, 8O0C852CPO, Pimarizin [German], MFCD00135085, Antibiotic A 5283, Natamycine [INN-French], Natamycinum [INN-Latin], Natamicina [INN-Spanish], CL 12625, Pimarizin, EINECS 231-683-5, CL 12,625, Pimaracin, Natamycin [USAN:USP:INN:BAN], NCGC00016686-01, 16-(3-Amino-3,6-didesoxy-beta-D-mannopyranosyloxy)-5,6-epoxy-8,12,14-trihydroxy-26-methyl-2,10-dioxo-1-oxacyclohexacosa-3,17,19,21,23-pentaen-13-carbonsaeure, CL-12625, E235, Stereoisomer of 22-((3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo(22.3.1.0(sup 5,7))octacosa-8,14,16,18,20-pentaene-25-carboxylic acid, CAS-7681-93-8, ene-25-carboxylic acid, DSSTox_CID_1163, DSSTox_RID_75985, DSSTox_GSID_21163, SCHEMBL18140, CHEMBL1200656, DTXSID6021163, (1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0~5,7~]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid, EX-A1989, HY-B0133, ZINC8220909, Tox21_110561, BDBM50370755, AKOS030485970, CS-1909, DB00826, RL04928, NICOTINAMIDE_ADENINE_DINUCLEOTIDE, E 235, Natamycin, VETRANAL(TM), analytical standard, NCGC00373238-02_C33H47NO13_Delvocid, 681N938, Pimaricin preparation, ~2.5%, aqueous suspension, Natamycin, United States Pharmacopeia (USP) Reference Standard, Pimaricin, from Streptomyces chattanoogensis, >=95% (HPLC), Natamycin, Pharmaceutical Secondary Standard; Certified Reference Material, rioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid, (1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-(((2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-t, (1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(3-Amino-3,6-dideoxy-?-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-penta, (5R,7R,24S)-22R-[(3S-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1R,3S,26S-trihydroxy-12R-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8E,14E,16E,18E,20E-pentaene-25R-carboxylic acid, Pimaricine, Delvolan, Delvopos, Natafucin, myuprozine, Natamycin [USAN:BAN:INN], Natamycin [USAN:INN:BAN], C33H47NO13, C33-H47-N-O13, 6,11,28-Trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid, 22-[(3-amino-3,6-dideoxy-.beta.-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-, 6,11,28-Trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid, 22-[(3-amino-3,6-dideoxy-.beta.-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-, (1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-,

Complexity	1220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	14
Defined Bond Stereocenter Count	5
Exact Mass	665.305g/mol
Formal Charge	0
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	665.733g/mol
Monoisotopic Mass	665.305g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	231A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number