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11-deoxycorticosterone-21-hemisuccinate

PropertiesImage
MNX_IDMNXM33122 Image of MNXM33122
referencechebi:62112
formulaC25H34O6
global charge0
mol weight430.541
InChIKeyCYWICJWKZPXJSA-PQWRYPMOSA-N
InChIInChI=1S/C25H34O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h13,17-20H,3-12,14H2,1-2H3,(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)O
MNX internals
InChI (mnx)InChI=1/C25H34O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h13,17-20H,3-12,14H2,1-2H3,(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1 Image of MNXM33122
SMILES (mnx)[CH3:1][C@:24]12[CH2:11][CH2:9][C:16](=[O:26])[CH:13]=[C:15]1[CH2:3][CH2:4][C@H:17]1[C@@H:18]3[CH2:5][CH2:6][C@H:20]([C:21]([CH2:14][O:31][C:23]([CH2:8][CH2:7][C:22](=[O:28])[OH:29])=[O:30])=[O:27])[C@@:25]3([CH3:2])[CH2:12][CH2:10][C@@H:19]12
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:62112
chebi:62112
CYWICJWKZPXJSA-PQWRYPMOSA-N 		11-deoxycorticosterone-21-hemisuccinate
11-Deoxycorticosterone hydrogen succinate
21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione
21-hydroxypregn-4-ene-3,20-dione 21-(hydrogen succinate)
21-hydroxyprogesterone 21-(hydrogen succinate)
21-hydroxyprogesterone 21-hemisuccinate
4-(progesteron-21-yloxy)-4-oxobutanoic acid
4-[(3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoic acid
P4-21-HS
deoxycorticosterone-21-hemisuccinate
succinic acid mono-(3,20-dioxo-pregn-4-en-21-yl ester)

seed.compound:cpd11116
seedM:cpd11116
CYWICJWKZPXJSA-PQWRYPMOSA-M 		11-Deoxycorticosterone hydrogen succinate
21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione
21-Hydroxypregn-4-ene-3,20-dione hydrogen succinate

kegg.compound:C15425
keggC:C15425
CYWICJWKZPXJSA-PQWRYPMOSA-N 		21-Hydroxypregn-4-ene-3,20-dione hydrogen succinate
11-Deoxycorticosterone hydrogen succinate
21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione

keggC:M_C15425
seedM:M_cpd11116 		secondary/obsolete/fantasy identifier