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

Modify Date: 2025-09-01 17:05:01

3-[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Structure
3-[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one structure
Common Name 3-[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Number 17059-16-4 Molecular Weight 536.65400
Density 1.36g/cm3 Boiling Point 735.2ºC at 760 mmHg
Molecular Formula C29H44O9 Melting Point N/A
MSDS N/A Flash Point 239.3ºC

 Names

Name 3-[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.36g/cm3
Boiling Point 735.2ºC at 760 mmHg
Molecular Formula C29H44O9
Molecular Weight 536.65400
Flash Point 239.3ºC
Exact Mass 536.29900
PSA 145.91000
LogP 1.42850
Vapour Pressure 5.98E-25mmHg at 25°C
Index of Refraction 1.613
InChIKey CMHWMOGWFZWDMR-ZKFHOKMZSA-N
SMILES CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

 Synonyms

Digitoxigenin-D-glucosid
Digitoxigenin-D-glucosid [German]
Digitoxigenin glucoside
Glucodigitoxigenin
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