AG003ACO

Name: (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid
Brand: Angene Chemical
SKU: AG003ACO

6990-06-3 | (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid

Chemical structure of (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid, CAS 6990-06-3

AG003ACO

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CAS Number	6990-06-3
Catalog Number	AG003ACO(AGN-PC-0TX8BE)
Chemical Name	(3α,4α,8α,9β,11α,13α,14β,16β,17Z)-16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid
EC Number	230-256-0
IUPAC Name	(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
InChI	InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
InChI Key	IECPWNUMDGFDKC-MZJAQBGESA-N
MDL Number	MFCD00865135
Molecular Formula	C31H48O6
Molecular Weight	516.7092
NSC Number	56192
SMILES	CC(C)=CCC/C(C(O)=O)=C1[C@@H](OC(C)=O)C[C@]2(C)[C@@]3(C)CC[C@@]4([H])[C@H](C)[C@H](O)CC[C@]4(C)[C@]3([H])[C@H](O)C[C@@]/12[H]
UNII	59XE10C19C
Synonyms	Acid, Fusidic, Fucithalmic, Fusidate Sodium, Fusidate, Silver, Fusidate, Sodium, Fusidic Acid, Fusidic Acid, Sodium Salt, Fusidin, Silver Fusidate, Sodium Fusidate, Sodium, Fusidate, Stanicide, fusidic acid, Fusidine, Ramycin, Fucithalmic, Fucidic acid, Fucidin acid, 6990-06-3, Fusidate, FUCIDIN, Flucidin, Fucidate, Diethanolamine fusidate, Acide fusidique, Acido fusidico, Acidum fusidicum, (-)-Fusidic acid, SQ 16,603, SQ 16603, UNII-59XE10C19C, Fusidinic Acid, MLS001332649, CHEBI:29013, 59XE10C19C, MFCD00865135, SMR000857101, (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid, Fucidate Sodium, (-)-16beta-acetoxy-3alpha,11alpha-dihydroxyfusida-17(20)Z,24-diene-21-oic acid, (2Z)-2-[(3alpha,4alpha,5alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methylhept-5-enoic acid, (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid, Fucidin Cream 2%, Acide fusidique [INN-French], Acido fusidico [INN-Spanish], Acidum fusidicum [INN-Latin], Fusidic acid [USAN:INN:BAN], Fusidic acid (USAN/INN), EINECS 230-256-0, Fusidate Acid, NSC 56192, 1qca, 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-, C.A.S. 62,602; Diethanolamine fusidate, C.A.S. 62,602, Prestwick2_000390, AC1MHD21, SCHEMBL25646, MLS001332650, MLS002207094, CHEMBL374975, ZN-6, DTXSID0023086, BDBM58924, cid_3000226, AOB5628, BIF6400, IECPWNUMDGFDKC-MZJAQBGESA-N, ZX-AFC000219, HMS2235B11, 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3-alpha,4-alpha,8-alpha,9-beta,11-alpha,13-alpha,14-beta,16-beta,17Z)-, 3alpha,11alpha,16beta-Trihydroxy-29-nor-8alpha,9beta,13alpha,14beta-dammara-17(20),24-dien-21-oic acid 16-acetate, ACT03304, NSC56192, ZINC8143796, C.A.S. 62, NSC-56192, 16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid, AKOS005146257, DB02703, DS-3261, LMPR0106040001, NCGC00485232-01, (2Z)-2-[(17Z)-16beta-acetoxy-3alpha,11alpha-dihydroxy-4alpha,8alpha,10,14beta-tetramethyl-5alpha,9beta,13alpha-gonan-17-ylidene]-6-methylhept-5-enoic acid, CC-28908, CC-28909, SQ-16603, F1007, A-8646, C06694, D04281, 150400-EP2289892A1, 990F063, Q-201141, Fusidic acid, European Pharmacopoeia (EP) Reference Standard, Fusidic acid for peak identification, European Pharmacopoeia (EP) Reference Standard, (2Z)-2-[(3beta,4beta,5alpha,8alpha,9beta,11beta,13alpha,16beta,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methylhept-5-enoic acid, (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-5-heptenoic acid, (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid, (3a,4a,8a,9b,11a,13a,147b,167b,17Z)-16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid, (Z)-2-((3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyldodecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-6-methylhept-5-enoic acid, (Z)-ent-16alpha-(acetyloxy)-3beta,11beta-dihydroxy-4beta,8,14- trimethyl-18-nor-5beta,10alpha-cholesta-17(20),24-dien-21-oate, 29-Nor-8.alpha.,13.alpha.,14.beta.-dammara-17(20),24-dien-21-oic acid, 3.alpha.,11.alpha.,16.beta.-trihydroxy-, 16-acetate, (Z)-, 29-Nor-8alpha,9beta,13alpha,14beta-dammara-17(20),24-dien-21-oic acid, 3alpha,11alpha,16beta-trihydroxy-, 16-acetate, (Z)- (8CI), 29-Nordammara-17(20), 16-(acetyloxy)-3,11-dihydroxy-, (3.alpha.,4.alpha.,8.alpha.,9.beta.,11.alpha.,13.alpha.,14.beta.,16.beta.,17Z)-, 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3a,4a,8a,9b,11a,13a,14b,16b,17Z)-, 3.alpha.,16.beta.-Trihydroxy-29-nor-8.alpha.,9.beta.,13.alpha.,14.beta.-dammara-17(20),24-dien-21-oic acid 16-acetate, ent-(17Z)-16alpha-(Acetyloxy)-3beta,11beta-dihydroxy-4beta,8,14-trimethyl-18-nor-5beta,10alpha-cholesta-17(20),24-dien-21-oic acid hemihydrate, Fusidate sodium, Sodium fusidate, Silver Fusidate, Fucidine, Stanicide, Fusidin, Acid, Fusidic, Fusidate, Silver, Fusidate, Sodium, Sodium, Fusidate, Fucithalmic (TN), Fucicort (TN), Fucidine (TN), Fusiderm (TN), Fusidic acid sodium, Fucibet (TN), Fucidin (TN), Fucizon (TN), Fusidin (TN), Fudic (TN), Fusid (TN), Fuci (TN), Fusidic acid, sodium salt, D0X7XG, ZN 6, FUSIDIC ACID SODIUM SALT, Fusidic acid, 98.5% - 1g 1g, ACN-048187, CID3000226, CS-O-01526, 2178A, D005672, 3.alpha.,11.alpha.,16.beta.-Trihydroxy-29-nor-8.alpha.,9.beta.,13.alpha.,14.beta.-dammara-17(20),24-dien-21-oic acid 16-acetate, FA, FUA, na,

Complexity	994
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	1
Exact Mass	516.345g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	516.719g/mol
Monoisotopic Mass	516.345g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Related Research Chemicals

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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