(3Beta,5Beta)-Methyl 3-Hydroxy-20-Oxo-21-Norcholan-14,16-Dien-24-Oate

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL2431147
PubChem:	72701756
IUPAC:	methyl 4-[(3S,5R,8R,9S,10S,13S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate
Standard InChI:	InChI=1S/C24H34O4/c1-23-12-10-16(25)14-15(23)4-5-17-18-6-7-20(21(26)8-9-22(27)28-3)24(18,2)13-11-19(17)23/h6-7,15-17,19,25H,4-5,8-14H2,1-3H3/t15-,16+,17+,19+,23+,24+/m1/s1
Standard InChI Key:	XKVKXGBAWKDMBY-SPUBCZGMSA-N
SMILES:	COC(=O)CCC(=O)C1=CC=C2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O

Molecular propeties
AlogP:	4.37
Hydrogen bonds acceptors:	4
Hydrogen bonds donors:	1
Rotatable bonds:	4
Number of rings:	4
Molecular Weight:	386.25
Topological polar surface area:	63.6
Number of aromatic rings:	0
Fsp3:	0.75
Number of carbons:	24

Plant sources

Part of plant	Plant name	Ref.
Plant	Rhaponticum carthamoides

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.