AG00ILNU

510-75-8 | Gibb-3-ene-1,10-dicarboxylic acid,2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone,(1a,2b,4aa,4bb,10b)-

AG00ILNU

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CAS Number	510-75-8
Catalog Number	AG00ILNU(AGN-PC-0S9HTP)
Chemical Name	Gibb-3-ene-1,10-dicarboxylic acid,2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone,(1a,2b,4aa,4bb,10b)-
EC Number	208-117-0
IUPAC Name	(1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
InChI	InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
InChI Key	SEEGHKWOBVVBTQ-NFMPGMCNSA-N
MDL Number	MFCD00133364
Molecular Formula	C19H22O5
Molecular Weight	330.3750
SMILES	C(O)(=O)[C@H]1[C@]2([C@@]3([C@]4([C@]15C[C@@](CC4)(C(=C)C5)[H])[H])OC(=O)[C@]2(C)[C@@H](O)C=C3)[H]
UNII	O302R26800
Synonyms	Gibberellin A7, UNII-O302R26800, O302R26800, 510-75-8, EINECS 208-117-0, GA7, SCHEMBL383019, CHEBI:32903, ZINC4102250, NCGC00380795-01, AN-45442, Gibb-3-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, (1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a-dihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone, (1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-13-ene-9-carboxylic acid, (1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid, 2beta-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-3-ene-10beta-carboxylic acid, gibberellin 7, KST-1A5320, C19H22O5, CID92782, AR-1A1127, C19-H22-O5, (1r,2r,5r,8r,9s,10r,11s,12s)-12-hydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid, 52479-65-9, Gibb-3-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1.alpha.,2.beta.,4a.alpha.,4b.beta.,10.beta.)-,

Complexity	725
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	330.147g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	330.38g/mol
Monoisotopic Mass	330.147g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number