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  • [(3S,5R,10S,13R,14S,17R)-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-3-yl]formate

[(3S,5R,10S,13R,14S,17R)-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-3-yl]formate

CAS
1250-96-0
Catalog Number
ACM1250960
Category
Other Products
Molecular Weight
402.524 g/mol
Molecular Formula
C24H34O5

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Specification

Synonyms
Digitoxigenin formate, 3-Formyl-digitoxigenin, 3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-formate, 5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-, 3-FORMATE, Card-20(22)-enolide, 3-(formyloxy)-14-hydroxy-, (3-beta,5-beta)-, AC1L24G3, LS-52430, [(3S,5R,10S,13R,14S,17R)-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-3-yl] formate, 1250-96-0
IUPAC Name
[(3S,5R,10S,13R,14S,17R)-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-3-yl] formate
Canonical SMILES
CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC=O
InChI Key
CYFZCSUWVQGZIF-ZXRSHIDQSA-N
Boiling Point
551.6ºC at 760mmHg
Flash Point
185.8ºC
Density
1.22g/cm³
Exact Mass
402.24100
H-Bond Acceptor
5
H-Bond Donor
1
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