Isopropyliden-proscillaridin [German]

5-[(3S,10R,13R,14S,17R)-14-hydroxy-3-[[(4S,7R)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

CAS: 21590-25-0

Molecular Formula	`C33H46O8`
Molecular Weight	570.7 g/mol
LogP	3.4
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	570.3193
Heavy Atoms	41
Complexity	1190.0

Chemical Identifiers

CAS Number	21590-25-0
SMILES	`CC1C(C2C(C(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4=C3)O)C7=COC(=O)C=C7)C)C)OC(O2)(C)C)O`
InChIKey	`DHXYKQBZTQTODL-LJSSCIMDSA-N`

📖 Product Overview

Isopropyliden-proscillaridin [German] (CAS: 21590-25-0) is a chemical compound with molecular formula C33H46O8 and molecular weight 570.7 g/mol. Its IUPAC systematic name is 5-[(3S,10R,13R,14S,17R)-14-hydroxy-3-[[(4S,7R)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one. LogP 3.4 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 3 Exact Mass 570.3193 Heavy Atoms 41 Complexity 1190.0 InChI Key: DHXYKQBZTQTODL-LJSSCIMDSA-N. SMILES: CC1C(C2C(C(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4=C3)O)C7=COC(=O)C=C7)C)C)OC(O2)(C)C)O.

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