Acetylmarinobufagin

[(2S,4R,6R,7R,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate

CAS: 4029-68-9

Molecular Formula	`C26H34O6`
Molecular Weight	442.5 g/mol
LogP	3.1
Topological Polar Surface Area	85.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	442.23553
Heavy Atoms	32
Complexity	939.0

Chemical Identifiers

CAS Number	4029-68-9
SMILES	`CC(=O)OC1CCC2(C3CCC4(C(CC5C4(C3CCC2(C1)O)O5)C6=COC(=O)C=C6)C)C`
InChIKey	`SMEFDRPJDZWFRJ-BEUCWVFZSA-N`

📖 Product Overview

Acetylmarinobufagin (CAS: 4029-68-9) is a chemical compound with molecular formula C26H34O6 and molecular weight 442.5 g/mol. Its IUPAC systematic name is [(2S,4R,6R,7R,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate. LogP 3.1 Topological Polar Surface Area 85.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 442.23553 Heavy Atoms 32 Complexity 939.0 InChI Key: SMEFDRPJDZWFRJ-BEUCWVFZSA-N. SMILES: CC(=O)OC1CCC2(C3CCC4(C(CC5C4(C3CCC2(C1)O)O5)C6=COC(=O)C=C6)C)C.

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