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Molecule
Gibberellic Acid
CAS: 77-06-5 · C19H22O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 77-06-5
- Molecular Formula
- C19H22O6
- Molecular Mass
- 346.38 g/mol
Identifiers
CAS Registry Number
77-06-5
SMILES
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O
InChI Key
IXORZMNAPKEEDV-OBDJNFEBSA-N
InChI
InChI=1S/C19H22O6/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
Names and Synonyms
- Gibberellic Acid Synonym
- Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,4aα,4bβ,10β)- Synonym
- Gibberellin A3 Synonym
- Gibberellic acid Synonym
- GA3 Synonym
- GA Synonym
- Gibberellic acid GA3 Synonym
- Berelex Synonym
- Gibreskol Synonym
- Pro-Gibb Plus Synonym
- Gibrescol Synonym
- Pro-Gibb Synonym
- TU 64-3-103-75 Synonym
- (+)-Gibberellin A3 Synonym
- Release LC Synonym
- RyzUp Synonym
- Ralex Synonym
- (+)-Gibberellic acid Synonym
- Maxon Synonym
- Maxon (plant growth regulator) Synonym
- Activol Synonym
- NSC 14190 Synonym
- NSC 19450 Synonym
- Arbostim Synonym
- Grocel GA3 Synonym
- GibGro Synonym
- Gibberellin GA3 Synonym
- Giberllon Synonym
- Clemencuaje Synonym
- ProGib Synonym
- Berelex L Synonym
- RyzUp SmartGrass Synonym
- Release Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 346.38 g/mol | CAS Common Chemistry |
| 346.3790000000001 g/mol | RDKit | |
| 346.379 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Gibberellic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1C2C3(OC(=O)C2(C)C(O)C=C3)C4CCC5(O)C(=C)CC14C5 | CAS Common Chemistry |
| InChI | InChI=1S/C19H22O6/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 | CAS Common Chemistry |
| InChI Key | InChIKey=IXORZMNAPKEEDV-OBDJNFEBSA-N | CAS Common Chemistry |
| Melting Point | 234 °C | CAS Common Chemistry |
| Name | (+)-Gibberellic acid | CAS Common Chemistry |
| Gibberellic acid | CAS Common Chemistry | |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 104.06000000000002 Ų | RDKit |
| 104.06 Ų | RDKit | |
| LogP | 1.0271000000000001 | RDKit |
| 1.0271 | RDKit | |
| Molar Refractivity | 85.17340000000003 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6842 | RDKit |
| 0.68 | chempirical lib | |
| Exact Mass | 346.14163842399995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 346.38 g/mol. Edit any field — others recompute live.
