(3beta,5beta,14beta,16beta,20Z)-16-Acetoxy-14,21-epoxy-24-norcholane-20,22-diene-3-ol

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL2431149
PubChem:	72702444
IUPAC:	[(1S,2R,5R,7S,10S,11S,14R,15R,20S)-16-ethenyl-7-hydroxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-20-yl] acetate
Standard InChI:	InChI=1S/C25H36O4/c1-5-16-14-28-25-13-21(29-15(2)26)22(16)24(25,4)11-9-19-20(25)7-6-17-12-18(27)8-10-23(17,19)3/h5,14,17-22,27H,1,6-13H2,2-4H3/t17-,18+,19+,20-,21+,22+,23+,24-,25+/m1/s1
Standard InChI Key:	HEVBJYCZSNXYKU-FUVMXNIJSA-N
SMILES:	C=CC1=CO[C@@]23[C@]([C@@H]1[C@@H](OC(=O)C)C2)(C)CC[C@H]1[C@H]3CC[C@H]2[C@]1(C)CC[C@@H](C2)O

Molecular propeties
AlogP:	4.77
Hydrogen bonds acceptors:	4
Hydrogen bonds donors:	1
Rotatable bonds:	2
Number of rings:	5
Molecular Weight:	400.26
Topological polar surface area:	55.8
Number of aromatic rings:	0
Fsp3:	0.8
Number of carbons:	25

Plant sources

Part of plant	Plant name	Ref.
Plant	Rhaponticum carthamoides

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.