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125-67-7 molecular structure
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(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid potassium

ChemBase ID: 155198
Molecular Formular: C19H22KO6
Molecular Mass: 385.47268
Monoisotopic Mass: 385.1053451
SMILES and InChIs

SMILES:
C[C@@]12[C@H](C=C[C@@]3([C@H]1[C@@H]([C@]14[C@H]3CC[C@](C1)(C(=C)C4)O)C(=O)O)OC2=O)O.[K]
Canonical SMILES:
OC(=O)[C@H]1[C@@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O.[K]
InChI:
InChI=1S/C19H22O6.K/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22;/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22);/t10-,11+,12-,13-,16-,17+,18+,19-;/m1./s1
InChIKey:
ABVAMUBQTNXOFZ-GLDAWBHVSA-N

Cite this record

CBID:155198 http://www.chembase.cn/molecule-155198.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid potassium
IUPAC Traditional name
gibberellinsaeure potassium
Synonyms
GA3
Gibberellin A3
Gibberellic acid potassium salt
赤霉素 A3
CAS Number
125-67-7
EC Number
204-749-6
MDL Number
MFCD00083342
PubChem SID
162249336
24895035
PubChem CID
16219384

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
G1025 external link Add to cart Please log in.
Data Source Data ID
PubChem 16219384 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.163467  H Acceptors
H Donor LogD (pH = 5.5) -1.0024102 
LogD (pH = 7.4) -2.7070677  Log P 0.3509133 
Molar Refractivity 86.4155 cm3 Polarizability 34.211063 Å3
Polar Surface Area 104.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
LY9000000 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
~95% expand Show data source
≥50% total GA3 basis expand Show data source
Suitability
plant cell culture tested expand Show data source
Product Line
BioReagent expand Show data source
Empirical Formula (Hill Notation)
C19H21KO6 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - G1025 external link
Application
Gibberillic acids (GA) are important plant growth hormones that promote plant cell growth and elongation. Gebberillins promote rapid stem and root growth, induce mitotic division and initiate (break dormancy) and increase seed germination rates. The gibberellins are also involved in processes such as gravitropism, tensioning and floral display.Gibberellin A3 (G1025, G7645) and A4 (G7276) may be used as supplements to plant growth media such as Murashige and Skoog media. The specific actions of A3 and A4 or combinations of Gebberellins should be determined in specific plant applications.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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