Cyclopentanohelveticosid

(3S,5S,8R,9S,10S,13R,17R)-5,14-dihydroxy-13-methyl-3-[(4R,6S)-4-methylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclopentane]-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: Cyclopentanohelveticosid|Cyclopentanohelveticosid [German]|FG 207|KST-1A5025|(3s,5s,8r,9s,10s,13r,17r)-5,14-dihydroxy-13-methyl-3-[(4r,6s)-4-methylspiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-2,1'-cyclopentane]-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-beta-Card-20(22)-enolide, 3-beta-((3,4-O-cyclopentylidene-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-|(3S,5S,8R,9S,10S,13R,17R)-5,14-dihydroxy-13-methyl-3-[(4R,6S)-4-methylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclopentane]-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

Molecular Formula	C34H48O9
Molecular Weight	600.32983 g/mol
LogP	2.6
Topological Polar Surface Area	121.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	600.32983
Monoisotopic Mass	600.32983
Heavy Atoms	43
Complexity	1200.0

Chemical Identifiers

CAS Number	38561-79-4
SMILES	C[C@@H]1C2C(C[C@H](O1)O[C@H]3CC[C@@]4([C@H]5CC[C@@]6([C@H](CCC6([C@@H]5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC8(O2)CCCC8
InChIKey	KZQGYUHMTZEZQB-VVZWOSLLSA-N