AG002A6V

20554-84-1 | Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bR)-

AG002A6V

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CAS Number	20554-84-1
Catalog Number	AG002A6V(AGN-PC-0QVEBL)
Chemical Name	Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bR)-
IUPAC Name	(1S,2R,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
InChI	InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1
InChI Key	KTEXNACQROZXEV-PVLRGYAZSA-N
MDL Number	MFCD00134592
Molecular Formula	C15H20O3
Molecular Weight	248.3175
SMILES	O=C(O[C@@]1([H])[C@@]2([H])CC/C(C)=C/CC[C@]3(C)[C@]1([H])O3)C2=C
Synonyms	parthenolide, parthenolide, (1aR-(1aR*,4E,7aS*,10aS*,10bR*))-isomer, parthenolide, 20554-84-1, (-)-Parthenolide, MFCD00134592, CHEBI:7939, Parthenolide, Tanacetum parthenium, 4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone, partenolide, C15H20O3, 29552-41-8, Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bR)-, Prestwick2_000550, Prestwick3_000550, Epitope ID:115014, SCHEMBL8220, BSPBio_000599, BSPBio_001308, MLS002153872, BPBio1_000659, CHEMBL465158, SCHEMBL13367522, BCBcMAP01_000041, Parthenolide, >=98% (HPLC), HMS1361B10, HMS1569N21, HMS1791B10, HMS1989B10, HMS2096N21, HMS3402B10, HMS3713N21, BCP10404, HY-N0141, ZINC4492886, AKOS016010226, CCG-208244, CS-1919, IDI1_033778, NCGC00163415-01, AJ-51217, AS-17479, SMR001233226, AB0019832, AB00513860, ST24048874, V0355, X-1866, 552P418, Q-100253, Parthenolide, United States Pharmacopeia (USP) Reference Standard, (1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, (3aS,10R,11R,11aS,6E)-3-Methylene-6,10-dimethyl-10,11-epoxy-1-oxa-2,3,3a,4,5,8,9,10,11,11a-decahydro-1H-cyclopentacyclodecene-2-one, D0M4KE, UNII-2RDB26I5ZB, ACN-035673, C15-H20-O3, CID7251185, NSC 157035, C002669, 4,5-Epoxy-germacra-1(10)E,11(13)-dien-12,6?-olide, parthenolide, (1aR-(1aR*,4E,7aS*,10aS*,10bR*))-isomer, Parthenolide, 98%, from Chrysanthemum morifolium - 100MG 100mg, 4,5alpha-epoxy-6beta-hydroxy-germacra-1(10),11(13)-dien-12-oic acid gamma-lactone, 4,5alpha-Epoxy-6beta-hydroxygermacra-1(10),11(13)-dien-12-oic Acid gamma-Lactone, Germacra-1(10),11(13)-dien-12-oic acid, 4,5.alpha.-epoxy-6.beta.-hydroxy-, .gamma.-lactone, Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, [1aR-(1aR*,4E,7aS*,10aS*,10bR*)]-,

Complexity	437
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	1
Exact Mass	248.141g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	248.322g/mol
Monoisotopic Mass	248.141g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number