Einecs 259-756-7

Name: Einecs 259-756-7
Brand: CoreyChem
SKU: CAS:55692-91-6
Price: Contact for pricing USD
Availability: InStock

3-[14-hydroxy-3-[4-hydroxy-5-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Also Known As: beta-Methyldigitoxin|EINECS 259-756-7|3-{[2,6-dideoxy-4-o-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide|4-[14-hydroxy-3-[4-hydroxy-5-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyl-oxan-2-yl)oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one|Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-methyl-beta-D-ribo-hexopyranosyl-(1.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-|3-[14-hydroxy-3-[4-hydroxy-5-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-methyl-beta-D-ribo-hexopyranosyl-(14)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(14)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-|Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-methyl-beta-d-ribo-hexopyranosyl-(14)-O-2,6-dideoxy-beta-d-ribo-hexopyranosyl-(14)-2,6-dideoxy-beta-d-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3beta,5beta)-

CAS: 55692-91-6

Molecular Formula	`C42H66O13`
Molecular Weight	778.4503 g/mol
LogP	3.9
Topological Polar Surface Area	171.83 Å²
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	13
Rotatable Bonds	8
Exact Mass	778.4503
Heavy Atoms	55
Complexity	1391.1

Chemical Identifiers

CAS Number	55692-91-6
SMILES	`CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)OC`

Product Overview

Einecs 259-756-7 (CAS 55692-91-6), with molecular formula C42H66O13 and molecular weight 778.4503 g/mol. IUPAC: 3-[14-hydroxy-3-[4-hydroxy-5-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.

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