[3-acetyloxy-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate

Modify Date: 2025-09-19 09:45:25

[3-acetyloxy-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate structure	Common Name	[3-acetyloxy-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
	CAS Number	4029-69-0	Molecular Weight	486.59700
	Density	1.24g/cm3	Boiling Point	596.6ºC at 760 mmHg
	Molecular Formula	C₂₈H₃₈O₇	Melting Point	N/A
	MSDS	N/A	Flash Point	191.9ºC

Use of [3-acetyloxy-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate

3-O-Acetylbufotalin is a derivate of bufadienolide, with anti-cancer activity[1].

Name	Bufotalin 3-acetate
Synonym	More Synonyms

Description	3-O-Acetylbufotalin is a derivate of bufadienolide, with anti-cancer activity[1].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Others >> Others
In Vitro	3-O-Acetylbufotalin (2b) inhibits the growth of six human cancer cell lines, with a mean IC50 of 159 nM[1].
References	[1]. Moreno Y Banuls L, et al. Structure-activity relationship analysis of bufadienolide-induced in vitro growth inhibitory effects on mouse and human cancer cells.

Density	1.24g/cm3
Boiling Point	596.6ºC at 760 mmHg
Molecular Formula	C₂₈H₃₈O₇
Molecular Weight	486.59700
Flash Point	191.9ºC
Exact Mass	486.26200
PSA	103.04000
LogP	4.35430
Vapour Pressure	1.02E-16mmHg at 25°C
Index of Refraction	1.57
InChIKey	NHHVQEFHQTULER-UHFFFAOYSA-N
SMILES	CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(c4ccc(=O)oc4)C(OC(C)=O)CC32O)C1

digitoxigenin3-rhamnoside

evomonosid

a-hydroxy

3-O-acetylbufotalin

digitoxigenin rhamnoside

DIGITOXIGENIN-3-O-A-L-RHAMNOPYRANOSIDE

DIGITOXIGENIN-3-O-RHAMNOSIDE

Digitoxigenine-3-rhamnoside