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Gibberellin A4 Methyl Ester

CAT: 0572-TRC-G377315-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G377315-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19124-90-4
Hazard Statement
No Data Available
Smiles
COC(=O)[C@H]1[C@H]2[C@@]3(CC[C@H](O)[C@@]2(C)C(=O)O3)[C@@H]4CC[C@@H]5C[C@]14CC5=C
Molecular Formula
C20 H26 O5
Molecular Weight
346.417
InChI
InChI=1S/C20H26O5/c1-10-8-19-9-11(10)4-5-12(19)20-7-6-13(21)18(2,17(23)25-20)15(20)14(19)16(22)24-3/h11-15,21H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15-,18-,19+,20-/m1/s1
Additionnal Information
IUPAC name: methyl (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]heptadecane-9-carboxylate
Shipping Conditions
Room Temperature

Chemical Information

Gibberellin A4 methyl ester

Gibberellin A4 methyl ester is a gibberellin ester that is the methyl ester of gibberellin A4. It is a lactone, a methyl ester and a gibberellin ester. It is functionally related to a gibberellin A4.

CAS Number19124-90-4
PubChem CID13964934
IUPAC Namemethyl (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]heptadecane-9-carboxylate
Molecular FormulaC20H26O5
Molecular Weight346.4
XLogP2
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity700
SMILES
C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)OC)OC2=O)O
InChI
InChI=1S/C20H26O5/c1-10-8-19-9-11(10)4-5-12(19)20-7-6-13(21)18(2,17(23)25-20)15(20)14(19)16(22)24-3/h11-15,21H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15-,18-,19+,20-/m1/s1
InChIKey
XBDTWBSMNXMGIJ-ZTVWUKKDSA-N
Chemical Structure
2D Structure
2D structure of Gibberellin A4 methyl ester
CAS: 19124-90-4
CID: 13964934
Formula: C20H26O5
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass346.17802393
Monoisotopic Mass346.17802393
Topological Polar Surface Area72.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
451190-01Gibberellin A9 Methyl Ester
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164289Gibberellin A5 Methyl Ester
RM-G020973-01Gibberellin A7 Methyl Ester
RM-G020943-01Gibberellin A4 Methyl Ester
AR-G02217-01Gibberellin A40 Methyl Ester
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