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cortisol 17-butyrate

PropertiesImage
MNX_IDMNXM47698 Image of MNXM47698
referencechebi:31674
formulaC25H36O6
global charge0
mol weight432.557
InChIKeyBMCQMVFGOVHVNG-TUFAYURCSA-N
InChIInChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
SMILESCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
MNX internals
InChI (mnx)InChI=1/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1 Image of MNXM47698
SMILES (mnx)[CH3:1][CH2:4][CH2:5][C:21](=[O:30])[O:31][C@:25]1([C:20]([CH2:14][OH:26])=[O:29])[CH2:11][CH2:9][C@H:18]2[C@@H:17]3[CH2:7][CH2:6][C:15]4=[CH:12][C:16](=[O:27])[CH2:8][CH2:10][C@:23]4([CH3:2])[C@H:22]3[C@@H:19]([OH:28])[CH2:13][C@@:24]21[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31674
chebi:31674
BMCQMVFGOVHVNG-TUFAYURCSA-N 		cortisol 17-butyrate
11beta,21-dihydroxy-17alpha-butyryloxy-4-pregnene-3,20-dione
11beta,21-dihydroxy-3,20-dioxopregn-4-en-17-yl butanoate
17-O-butyrylcortisol
H-17-B
Hydrocortisone 17-butyrate
Hydrocortisone butyrate
Hydrocortisone-17alpha-butyrate
hmdb:HMDB0253243
BMCQMVFGOVHVNG-UHFFFAOYSA-N 		Hydrocortisone 17-butyrate
17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl butanoate
Cortisol 17-butyrate
Hydrocortisone butyric acid
Hydrocortisone-17-butyrate
Locoid
Locoid C

kegg.drug:D01619
keggD:D01619
BMCQMVFGOVHVNG-TUFAYURCSA-N 		Hydrocortisone butyrate (JP18/USP)
Locoid (TN)

keggD:M_D01619 		secondary/obsolete/fantasy identifier