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Gibberellic Acid 3-Isolactone

CAT: 1299-RM-G053266-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G053266-01Size:10 mg
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CAS Number
19123-67-2
Molecular Formula
C19H22O6
Molecular Weight
346.38
Product Name Synonym
(1S,4R,5bR,8S,10aS,11S,11aS,13R) -8,13-dihydroxy-1-methyl-9-methylene-2-oxo-1,2,5b,6,7,8,9,10,11,11a-decahydro-4H-1,4:8,10a-dimethanoazuleno[1,2-d]oxepine-11-carboxylic acid

Chemical Information

Gibberellic Acid 3-Isolactone

Gibberellic Acid 3-Isolactone has been reported in Camellia sinensis, Solanum lycopersicum, and Pisum sativum with data available.

CAS Number19123-67-2
PubChem CID12897222
IUPAC Name13,17-dihydroxy-4-methyl-14-methylidene-5-oxo-6-oxapentacyclo[11.2.1.14,7.01,10.03,9]heptadec-8-ene-2-carboxylic acid
Molecular FormulaC19H22O6
Molecular Weight346.4
XLogP-0.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity770
SMILES
CC12C3C(C45CC(=C)C(C4)(CCC5C3=CC(C1O)OC2=O)O)C(=O)O
InChI
InChI=1S/C19H22O6/c1-8-6-18-7-19(8,24)4-3-10(18)9-5-11-14(20)17(2,16(23)25-11)12(9)13(18)15(21)22/h5,10-14,20,24H,1,3-4,6-7H2,2H3,(H,21,22)
InChIKey
SLSYEBAZQRZQID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gibberellic Acid 3-Isolactone
CAS: 19123-67-2
CID: 12897222
Formula: C19H22O6
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass346.14163842
Monoisotopic Mass346.14163842
Topological Polar Surface Area104 Ų
Heavy Atom Count25
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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