Cyclododekanonhelveticosid [German]

5,14-dihydroxy-13-methyl-3-(4-methylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclododecane]-6-yl)oxy-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: Cyclododekanonhelveticosid|Cyclododekanonhelveticosid [German]|5-beta-Card-20(22)-enolide, 3-beta-((3,4-O-cyclododecylidene-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-|5,14-dihydroxy-13-methyl-3-(4-methylspiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-2,1'-cyclododecane]-6-yl)oxy-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|5,14-dihydroxy-13-methyl-3-(4-methylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclododecane]-6-yl)oxy-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|Card-20(22)-enolide, 3-[(3,4-O-cyclododecylidene-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3b,5b)- (9CI)

Molecular Formula	C41H62O9
Molecular Weight	698.4394 g/mol
LogP	6.1
Topological Polar Surface Area	121.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	698.4394
Monoisotopic Mass	698.4394
Heavy Atoms	50
Complexity	1300.0

Chemical Identifiers

CAS Number	5339-24-2
SMILES	CC1C2C(CC(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC8(O2)CCCCCCCCCCC8
InChIKey	BVWCJODMRZJTSI-UHFFFAOYSA-N