AG005OHM

67416-61-9 | Acetyl-11-keto-β-Boswellic Acid, Boswellia serrata

AG005OHM

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CAS Number	67416-61-9
Catalog Number	AG005OHM(AGN-PC-0TO6LN)
Chemical Name	Acetyl-11-keto-β-Boswellic Acid, Boswellia serrata
EC Number	614-060-6
IUPAC Name	(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
InChI	InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
InChI Key	HMMGKOVEOFBCAU-BCDBGHSCSA-N
MDL Number	MFCD03788777
Molecular Formula	C32H48O5
Molecular Weight	512.7205
SMILES	C[C@@]([C@@](C1=C2)(CC[C@@](C)(CC[C@H]3C)[C@@]1([H])[C@H]3C)C)(CC[C@@]4([H])[C@@]5(C)C(O)=O)[C@@](C2=O)([H])[C@]4(CC[C@H]5OC(C)=O)C
UNII	BS16QT99Q1
Synonyms	3-O-acetyl-11-keto-boswellic acid, acetyl-11-keto-beta-boswellic acid, acetyl-11-keto-boswellic acid, acetyl-11-ketoboswellic acid, AcKBA, AKBA cpd, 3-O-Acetyl-11-keto-beta-Boswellic Acid, AKBA, 67416-61-9, 3-acetyl-11-keto-beta-boswellic acid, AKbetaBA, UNII-BS16QT99Q1, Acetyl-11-keto-beta-boswellic acid, BS16QT99Q1, CHEMBL237111, Acetyl-11-keto--boswellic acid, MFCD03788777, AKBA cpd, Acetyl-11-keto-b-boswellic acid, acetyl-11-ketoboswellic acid, 3-Acetyl-11-keto-|A-Boswellic Acid, 3alpha-acetoxy-11-keto-beta-boswellic acid, Curator_000001, HMMGKOVEOFBCAU-BCDBGHSCSA-N, (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetoxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid, HY-N0892, Acetyl-11-keto-beta-boswellic acid;, BDBM50241262, ZINC14089767, AKOS026670207, CS-3736, 3-Acetyl-11-keto-beta-boswellic acid;, ST24045899, X1137, BETA-BOSWELLIC ACID,3-ACETYL,11-KETO, 3alpha-Acetoxy-11-oxo-12-ursen-24-oic acid, 416A619, 3-O-Acetyl-11-keto-beta-boswellic acid, analytical standard, 3-O-Acetyl-11-keto-|A-boswellic acid; Acetyl-11-keto-|A-boswellic acid, 3-Acetyl-11-keto-beta-boswellic acid, United States Pharmacopeia (USP) Reference Standard, AcKBA, D02XEX, UNII-8Y662G4PPI, acetyl-11-keto-boswellic acid, C32H48O5, 3-O-acetyl-11-keto-boswellic acid, ACN-056964, CID11168203, Acetyl-11-keto-beta-Boswellic Acid, Boswellia serrata, C094432,

Complexity	1060
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	11
Defined Bond Stereocenter Count	0
Exact Mass	512.35g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	512.731g/mol
Monoisotopic Mass	512.35g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	80.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.2

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