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Home > Product > Heterocyclic Organic Compounds > Digoxigenin-3,12-diacetate

Digoxigenin-3,12-diacetate | CAS Number: 6078-59-7

Catalog Number
ACM6078597
Product Name
Digoxigenin-3,12-diacetate
Structure
CAS Number
6078-59-7
IUPAC Name
[(3S,5R,10S,12R,13S,14S,17R)-12-acetyloxy-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] acetate
Synonyms
DIGOXIGENIN-3,12-DIACETATE;3,12-diacetyldigoxigenin;3-beta,12-beta,14-trihydroxy-5-beta-card-20(22)-enolide3,12-diacetate;5-beta-card-20(22)-enolide,3-beta,12-beta,14-trihydroxy-,3,12-diacetate;diacetyldigoxigenin;digoxigenindiacetate;3β,12β-Di(acetyloxy
Molecular Weight
474.59
Exact Mass
474.26200
Molecular Formula
C27H38O7
Boiling Point
589.2ºC at 760 mmHg
Melting Point
223ºC
Flash Point
190.9ºC
Density
1.24g/cm3
Purity
96%
SMILES
CC(=O)OC1CCC2(C(C1)CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)OC(=O)C)C
InChIKey
PERJXZOIRVHGPJ-UDSAXXSYSA-N
H-Bond Donor
1
H-Bond Acceptor
7
Packing Group
III
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