3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide

Name: 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide
Brand: CoreyChem
SKU: CAS:20300-44-1
Price: Contact for pricing USD
Availability: InStock

(3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Also Known As: Degluco-hellebrin, Desgluco-hellebrin [German], Hellebrigenin-L-rhamnosid [German], BRN 0072412, 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide, (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde, (8xi,9xi)-3beta-[(6-Deoxy-alpha-D-glycero-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5beta-bufa-20,22-dienolide, 5-beta-Bufa-20,22-dienolide, 3-beta-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,14-hydroxy-19-oxo-

CAS: 20300-44-1

Molecular Formula	`C30H42O10`
Molecular Weight	562.2778 g/mol
LogP	1.39
Topological Polar Surface Area	166.89 Å²
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	562.2778
Heavy Atoms	40
Complexity	1166

Chemical Identifiers

CAS Number	20300-44-1
SMILES	`CC1[C@H](C(C([C@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)O`

Product Overview

3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide (CAS 20300-44-1), with molecular formula C30H42O10 and molecular weight 562.2778 g/mol. IUPAC: (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.

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