200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 130288-58-3
130288-58-3 | Spiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptane]-8-carboxaldehyde, 3,4-dihydro-5,7-dihydroxy-6',6'-dimethyl-6-(3-methyl-1-oxobutyl)-, (1'R,2R,5'S)-
CAS No: 130288-58-3 Catalog No: AG000U7W MDL No:
Product Description
Catalog Number:
AG000U7W
Chemical Name:
Spiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptane]-8-carboxaldehyde, 3,4-dihydro-5,7-dihydroxy-6',6'-dimethyl-6-(3-methyl-1-oxobutyl)-, (1'R,2R,5'S)-
CAS Number:
130288-58-3
Molecular Formula:
C23H30O5
Molecular Weight:
386.4813
IUPAC Name:
(1'R,2R,5'S)-5,7-dihydroxy-6',6'-dimethyl-6-(3-methylbutanoyl)spiro[3,4-dihydrochromene-2,2'-bicyclo[3.1.1]heptane]-8-carbaldehyde
InChI:
InChI=1S/C23H30O5/c1-12(2)9-16(25)18-19(26)14-6-8-23(28-21(14)15(11-24)20(18)27)7-5-13-10-17(23)22(13,3)4/h11-13,17,26-27H,5-10H2,1-4H3/t13-,17+,23+/m0/s1
InChI Key:
XREJXBXJCWWRFP-OLJPZDALSA-N
SMILES:
O=Cc1c2O[C@@]3(CCc2c(c(c1O)C(=O)CC(C)C)O)CC[C@H]1C[C@@H]3C1(C)C
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
386.209g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.488g/mol
Monoisotopic Mass:
386.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationship study of phloroglucinol-terpene adducts as anti-leishmanial agents. | Bioorganic & medicinal chemistry letters 20110715 |
| Biomimetic synthesis, antimicrobial, antileishmanial and antimalarial activities of euglobals and their analogues. | Bioorganic & medicinal chemistry 20060315 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.