Aethylbenzylketonhelveticosid

(3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2-benzyl-2-ethyl-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-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]phenanthrene-10-carbaldehyde

Also Known As: Aethylbenzylketonhelveticosid|RefChem:301350|AC1L1XE9|FG 272|Aethylbenzylketonhelveticosid [German]|5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-phenylmethyl)propylidene)-beta-D-ribo-hexopyranosyl)-5,14-dihydroxy-19-oxo-|(3r,5s,10s,13r,14s,17r)-3-[[(3ar,6r)-2-ethyl-4-methyl-2-(phenylmethyl)-4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-6-yl]oxy]-5,14-dihydroxy-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]phenanthrene-10-carbaldehyde|(3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2-benzyl-2-ethyl-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-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]phenanthrene-10-carbaldehyde|(8xi,9xi)-3beta-{[3,4-O-(1-Benzylpropylidene)-2,6-dideoxy-beta-D-glycero-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide|3-{[3,4-O-(1-Benzylpropylidene)-2,6-dideoxyhexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide

Molecular Formula	C39H52O9
Molecular Weight	664.36115 g/mol
LogP	5.19
Topological Polar Surface Area	120.75 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	664.36115
Heavy Atoms	48
Complexity	1447.8

Chemical Identifiers

CAS Number	35811-18-8
SMILES	CCC1(O[C@@H]2C(O[C@H](CC2O1)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)C)CC8=CC=CC=C8