DTXSID00942057

3-[(3S,5S,10R,13R,14S,17R)-3-[[(3aR,6R)-2,2,4-trimethyl-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

CAS: 20045-26-5

Molecular Formula	`C32H48O9`
Molecular Weight	576.7 g/mol
LogP	1.7
Topological Polar Surface Area	124.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	576.32983
Heavy Atoms	41
Complexity	1110.0

Chemical Identifiers

CAS Number	20045-26-5
SMILES	`CC1C2C(CC(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)CO)OC(O2)(C)C`
InChIKey	`ODZGQIFPCJZJHC-LRFAISFCSA-N`

📖 Product Overview

DTXSID00942057 (CAS: 20045-26-5) is a chemical compound with molecular formula C32H48O9 and molecular weight 576.7 g/mol. Its IUPAC systematic name is 3-[(3S,5S,10R,13R,14S,17R)-3-[[(3aR,6R)-2,2,4-trimethyl-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. LogP 1.7 Topological Polar Surface Area 124.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 4 Exact Mass 576.32983 Heavy Atoms 41 Complexity 1110.0 InChI Key: ODZGQIFPCJZJHC-LRFAISFCSA-N. SMILES: CC1C2C(CC(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)CO)OC(O2)(C)C.

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