Compound C46H72O15

[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] 3-methylbutanoate

CAS: 26184-94-1

Molecular Formula	`C46H72O15`
Molecular Weight	865.1 g/mol
LogP	3.4
Topological Polar Surface Area	209.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	15
Rotatable Bonds	11
Exact Mass	864.4871
Heavy Atoms	61
Complexity	1620.0

Chemical Identifiers

CAS Number	26184-94-1
SMILES	`CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)OC(=O)CC(C)C)O)C)C)C)C)O)O`
InChIKey	`WAUXRNRLQUPPMA-HHTDSMBASA-N`

📖 Product Overview

Compound C46H72O15 (CAS: 26184-94-1) is a chemical compound with molecular formula C46H72O15 and molecular weight 865.1 g/mol. Its IUPAC systematic name is [(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] 3-methylbutanoate. LogP 3.4 Topological Polar Surface Area 209.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 15 Rotatable Bonds 11 Exact Mass 864.4871 Heavy Atoms 61 Complexity 1620.0 InChI Key: WAUXRNRLQUPPMA-HHTDSMBASA-N. SMILES: CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)OC(=O)CC(C)C)O)C)C)C)C)O)O.

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