10EHY3D8GY
[(1R,4E,6R,7R)-4-ethylidene-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadeca-11(17),12-dien-7-yl] acetate acetate
Molecular Identity
10EHY3D8GY
[(1R,4E,6R,7R)-4-ethylidene-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadeca-11(17),12-dien-7-yl] acetate acetate
PubChem CID: 92135827
2D Structure
Properties
C23H31NO8
Molecular Formula
449.50
Molecular Weight
g/mol
449.2050
Exact Mass
Da
119
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
835
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(13)
10EHY3D8GYLX-201CCRIS 9197LX201LX 20171673-83-112-(ACETYLOXY)-3,8-DIDEHYDRO-4-METHYL-11,16-DIOXOSENECIONANIUM ASenecionanium, 12-(acetyloxy)-3,8-didehydro-4-methyl-11,16-dioxo-, (12-beta,15E)-, acetate(1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINIUM, 6-(ACETYLOXY)-3-ETHYLIDENE-2,3,4,5,6,7,9,13,14,14A-DECAHYDRO-5,6,12-TRIMETHYL-2,7-DIOXO-, (3E,5R,6R,14AR)-, ACETATE (1:1)RefChem:800172UNII-10EHY3D8GYSCHEMBL29877139Q27251136
Data from PubChem (NCBI)
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