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Gibberellin A5 Methyl Ester

CAT: 0572-TRC-G377475-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G377475-500MGSize:500 mg
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CAS Number
15355-45-0
Synonyms
4a,7-Dihydroxy-1-methyl-8-methylene-4aalpha,4bbeta-gibb-2-ene-1alpha,10beta-dicarboxylic Acid 1,4a-Lactone Methyl Ester; 4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene, gibb-2-ene-1,10-dicarboxylic Acid Deriv.; GA5 Methyl Ester
Hazard Statement
No Data Available
Smiles
COC(=O)[C@H]1[C@@H]2[C@@]3(C)C=CC[C@@]2(OC3=O)[C@@H]4CC[C@]5(O)C[C@]14CC5=C
Molecular Formula
C20H24O5
Molecular Weight
344.4
Shipping Conditions
Room Temperature

Chemical Information

Gibberellin A5 methyl ester
CAS Number15355-45-0
PubChem CID45102628
IUPAC Namemethyl (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylate
Molecular FormulaC20H24O5
Molecular Weight344.4
XLogP1.5
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity755
SMILES
C[C@@]12C=CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)OC)OC2=O
InChI
InChI=1S/C20H24O5/c1-11-9-18-10-19(11,23)8-5-12(18)20-7-4-6-17(2,16(22)25-20)14(20)13(18)15(21)24-3/h4,6,12-14,23H,1,5,7-10H2,2-3H3/t12-,13-,14-,17-,18+,19+,20-/m1/s1
InChIKey
KIAZKTCYLHEASA-HOWNIQBVSA-N
Chemical Structure
2D Structure
2D structure of Gibberellin A5 methyl ester
CAS: 15355-45-0
CID: 45102628
Formula: C20H24O5
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass344.16237386
Monoisotopic Mass344.16237386
Topological Polar Surface Area72.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity755
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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451190-01Gibberellin A9 Methyl Ester
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164289Gibberellin A5 Methyl Ester
RM-G020973-01Gibberellin A7 Methyl Ester
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