Cas no 32630-92-5 ((1S,2R,3S,4aR,4bR,7R,9aR,10S,10aR)-2,3-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid)
![(1S,2R,3S,4aR,4bR,7R,9aR,10S,10aR)-2,3-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid structure](https://ossimg.kuujia.com/scimg/33000/32630-92-5x500.png)
32630-92-5 structure
Product Name:(1S,2R,3S,4aR,4bR,7R,9aR,10S,10aR)-2,3-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
CAS No:32630-92-5
MF:C19H24O6
MW:348.390266418457
CID:1450665
PubChem ID:5281987
Update Time:2025-04-20
(1S,2R,3S,4aR,4bR,7R,9aR,10S,10aR)-2,3-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- (1S,2R,3S,4aR,4bR,7R,9aR,10S,10aR)-2,3-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
- 2β,3β,4aα-Trihydroxy-1β-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone
- gibberellin A34
- 32630-92-5
- (1R,2R,5R,8R,9S,10R,11S,12R,13S)-12,13-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid
- 2beta,3beta-dihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid
- Q27110163
- CHEBI:29593
- (1R,2R,5R,8R,9S,10R,11S,12R,13S)-12,13-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
- GA34
- Gibberellin A47
- GA47
- 2beta,3beta,4aalpha-Trihydroxy-1beta-methyl-8-methylenegibbane-1alpha,10beta-dicarboxylic acid 1,4a-lactone
- GA34; 1,4a-Lactone-2ss,3ss,4a-trihydroxy-1-methyl-8-methylene-4aa,4bss-gibbane-1a,10ss-dicarboxylic Acid; 4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene-gibbane-1,10-dicarboxylic Acid Derivative;
-
- Inchi： 1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,14+,17+,18+,19-/m1/s1
- InChI Key： IGZIQAJJXGRAJF-TXZPEUJSSA-N
- SMILES： O1C([C@]2(C)[C@H]([C@H](C[C@]31[C@@H]2[C@H](C(=O)O)[C@]12CC(=C)[C@H](CC[C@H]13)C2)O)O)=O
Computed Properties
- Exact Mass: 348.157
- Monoisotopic Mass: 348.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 717
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 104A^2
- XLogP3: 0.7
Experimental Properties
- Density: 1.45
- Melting Point: >175°C (dec.)
- Boiling Point: 591.8°C at 760 mmHg
- Flash Point: 216°C
- Refractive Index: 1.635
- Solubility: Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
- PSA: 104.06000
- LogP: 1.10700
- Vapor Pressure: 0.0±3.8 mmHg at 25°C
(1S,2R,3S,4aR,4bR,7R,9aR,10S,10aR)-2,3-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Amber Vial, -20?°C Freezer, Under inert atmosphere
(1S,2R,3S,4aR,4bR,7R,9aR,10S,10aR)-2,3-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
32630-92-5 ((1S,2R,3S,4aR,4bR,7R,9aR,10S,10aR)-2,3-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid) Related Products
- 2202-01-9(1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-[(1S)- 1-methylethenyl]-3-(tetrahydro-2-methyl-5- oxo-2-furanyl)-,(3S,3aR,5aR,6S,7R,9aR,- 9bR)-)
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