3beta,5,14,16beta-Tetrahydroxy-19-oxo-5betacard-20(22)-enolide 16-acetate

Name: 3beta,5,14,16beta-Tetrahydroxy-19-oxo-5betacard-20(22)-enolide 16-acetate
Brand: CoreyChem
SKU: CAS:6980-15-0
Price: Contact for pricing USD
Availability: InStock

[(3S,5S,8R,9S,10S,13R,14S,16S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

Also Known As: EINECS 230-245-0|3beta,5,14,16beta-Tetrahydroxy-19-oxo-5betacard-20(22)-enolide 16-acetate|16beta-(Acetyloxy)-3beta,5,14-trihydroxy-19-oxo-5beta-card-20(22)-enolide|16-(Acetyloxy)-3,5,14-trihydroxy-19-oxocard-20(22)-enolide|(1R,2S,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a-formyl-3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate|[(3S,5S,8R,9S,10S,13R,14S,16S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

CAS: 6980-15-0

Molecular Formula	`C25H34O8`
Molecular Weight	462.22537 g/mol
LogP	1.44
Topological Polar Surface Area	130.36 Å²
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	462.22537
Heavy Atoms	33
Complexity	914.1

Chemical Identifiers

CAS Number	6980-15-0
SMILES	`CC(=O)O[C@H]1C[C@@]2([C@@H]3CC[C@@]4(C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C5=CC(=O)OC5)C)C=O)O)O)O`

Product Overview

3beta,5,14,16beta-Tetrahydroxy-19-oxo-5betacard-20(22)-enolide 16-acetate (CAS 6980-15-0), with molecular formula C25H34O8 and molecular weight 462.22537 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13R,14S,16S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate.

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