Acetophenone helveticosol

3-[(3S,5S,10R,13R,14S,17R)-3-[[(3aR,6R)-2,4-dimethyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Also Known As: Acetophenonhelveticosol|Acetophenonehelveticosol|Acetophenone helveticosol|acetophenone-helveticosol|RefChem:316864|Acetophenonhelveticosol [German]|AC1L1XE6|QNBADHCGFQKPKR-OMFYFAIKSA-N|Card-20(22)-enolide, 3-((2,6-dideoxy-3,4-O-((1-phenylethylidene)bis(oxy))-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-, (3-beta,5-beta)-|3-[(3S,5S,10R,13R,14S,17R)-3-[[(3aR,6R)-2,4-dimethyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|(8xi,9xi)-3beta-{[2,6-Dideoxy-3,4-O-(1-phenylethylidene)-beta-D-glycero-hexopyranosyl]oxy}-5,14,19-trihydroxy-5beta-card-20(22)-enolide|3-[(3S,5S,10R,13R,14S,17R)-3-[[(3Ar,6r)-2,4-dimethyl-2-phenyl-4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodeca|3-{[2,6-Dideoxy-3,4-O-(1-phenylethylidene)hexopyranosyl]oxy}-5,14,19-trihydroxycard-20(22)-enolide

Molecular Formula	C37H50O9
Molecular Weight	638.34546 g/mol
LogP	4.51
Topological Polar Surface Area	123.91 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	638.34546
Heavy Atoms	46
Complexity	1383.8

Chemical Identifiers

CAS Number	35811-16-6
SMILES	CC1[C@@H]2C(C[C@@H](O1)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)CO)OC(O2)(C)C8=CC=CC=C8