3,16-Dihydroxy-13,28-epoxyoleanan-29-al structure

3,16-Dihydroxy-13,28-epoxyoleanan-29-al

(2R,4S,5R,10S,13R,14R,18R,20R)-2,10-dihydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde

Also Known As: Cyclamiretin A|3,16-Dihydroxy-13,28-epoxyoleanan-29-al|(5xi,13xi,17xi)-3beta,16alpha-Dihydroxy-13,28-epoxyoleanan-29-al|(2R,4S,5R,10S,13R,14R,18R,20R)-2,10-dihydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo(15.5.2.01,18.04,17.05,14.08,13)tetracosane-20-carbaldehyde|(2R,4S,5R,10S,13R,14R,18R,20R)-2,10-dihydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde

CAS: 5172-34-9
Molecular Formula C30H48O4
Molecular Weight 472.35526 g/mol
LogP 5.5315
Topological Polar Surface Area 66.76 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 1
Exact Mass 472.35526
Monoisotopic Mass 472.35526
Heavy Atoms 34
Complexity 900.2362

Chemical Identifiers

CAS Number 5172-34-9
SMILES C[C@]1(CCC23COC4([C@@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C(C6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C)O)C)C=O

Product Overview

3,16-Dihydroxy-13,28-epoxyoleanan-29-al (CAS 5172-34-9), with molecular formula C30H48O4 and molecular weight 472.35526 g/mol. IUPAC: (2R,4S,5R,10S,13R,14R,18R,20R)-2,10-dihydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde.

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