AG00FAFP

Name: Atractylenolide-1
Brand: Angene Chemical
SKU: AG00FAFP

73069-13-3 | Atractylenolide-1

AG00FAFP

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CAS Number	73069-13-3
Catalog Number	AG00FAFP(AGN-PC-0U22HH)
Chemical Name	Atractylenolide-1
IUPAC Name	(4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
InChI	InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1
InChI Key	ZTVSGQPHMUYCRS-SWLSCSKDSA-N
MDL Number	MFCD09037395
Molecular Formula	C15H18O2
Molecular Weight	230.3022
SMILES	CC1=C2C(OC1=O)=C[C@]1(CCCC([C@@H]1C2)=C)C
Synonyms	8,9-dehydroasterolide, atractylenolide I, Atractylenolide I, 73069-13-3, Atractylenolide-1, Atractylenolide 1, AtractylenolideI, CHEMBL449520, Atractylenolide-I, AC1NT03W, SCHEMBL1898423, (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one, HY-N0201, BDBM50241939, MFCD09037395, s8291, ZINC15207341, Atractylenolide I, >=98% (HPLC), AKOS025119313, CS-3669, FT-0686575, N2541, X1093, C17885, 069A133, Q-100800, 8,12-EPOXYEUDESMA-4(14),7(11),8-TRIEN-12-ONE, Naphtho[2,3-b]furan-2(4H)-one,4a,5,6,7,8,8a-hexahydro-3,8a-dimethyl-5-methylene-, (4aS,8aS)-, 8,9-dehydroasterolide, C15H18O2, ACN-047025, CID5321018, C424804,

Complexity	481
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	230.131g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.307g/mol
Monoisotopic Mass	230.131g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited