Results for:
PubChem ID: 6452096

Ethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Compound Details

Synonymous names
ethyl cholate
47676-48-2
Ethyl iso-allocholate
cholic acid ethyl ester
UNII-1AB03YEQ1S
1AB03YEQ1S
EINECS 256-328-1
ethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren
Ethyl 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
Ethyl 3,7,12-trihydroxycholan-24-oate
5BETA-CHOLANIC ACID-3ALPHA,7ALPHA,12ALPHA-TRIOL ETHYL ESTER
SCHEMBL5428082
DTXSID50963898
FPDXMWHJGOCDQJ-HZAMXZRMSA-N
AKOS024278936
ethyl 4-((1S,2S,7S,11S,16S,5R,9R,10R,14R,15R)-5,9,16-trihydroxy-2,15-dimethylt etracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoate
Ethyl 3,7,12-trihydroxycholan-24-oate #
NS00058235
Q27252154
5BETA-CHOLANICACID-3ALPHA,7ALPHA,12ALPHA-TRIOLETHYLESTER
5.BETA.-CHOLANIC ACID-3.ALPHA.,7.ALPHA.,12.ALPHA.-TRIOL ETHYL ESTER
Cholan-24-oic acid, 3,7,12-trihydroxy-, ethyl ester, (3?,5?,7?,12?)-; Cholic acid, ethyl ester (6CI); Ethyl cholate; Cholic Acid Ethyl Ester
Microorganism:

No

IUPAC nameethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
SMILESCCOC(=O)CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InchiInChI=1S/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3/t15-,16+,17-,18
FormulaC26H44O5
PubChem ID6452096
Molweight436.6
LogP4.3
Atoms31
Bonds6
H-bond Acceptor5
H-bond Donor3
Chemical Classificationalcohols steroids esters
Supernatural-IDSN0091732-04

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPleurotus OstreatusAgriculture Research Center, Giza, EgyptHamad et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPleurotus OstreatusGC-MSno