Search MNXref
 Feedback

16alpha,17alpha-dihydroxyprogesterone

PropertiesImage
MNX_IDMNXM40682 Image of MNXM40682
referencechebi:763
formulaC21H30O4
global charge0
mol weight346.467
InChIKeyCXDWHYOBSJTRJU-SRWWVFQWSA-N
InChIInChI=1S/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
SMILESCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1 Image of MNXM40682
SMILES (mnx)[CH3:1][C:12]([C@@:21]1([OH:25])[C@H:18]([OH:24])[CH2:11][C@H:17]2[C@@H:15]3[CH2:5][CH2:4][C:13]4=[CH:10][C:14](=[O:23])[CH2:6][CH2:8][C@:19]4([CH3:2])[C@H:16]3[CH2:7][CH2:9][C@@:20]21[CH3:3])=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:763
chebi:763
CXDWHYOBSJTRJU-SRWWVFQWSA-N 		16alpha,17alpha-dihydroxyprogesterone
16alpha,17-dihydroxypregn-4-ene-3,20-dione
Algestone
Alphasone
algestona
algestone
algestonum

SLM:000598121
slm:000598121
CXDWHYOBSJTRJU-SRWWVFQWSA-N 		16alpha,17alpha-dihydroxyprogesterone

seed.compound:cpd03826
seedM:cpd03826
CXDWHYOBSJTRJU-SRWWVFQWSA-N 		Algestone

lipidmaps:LMST02030171
lipidmapsM:LMST02030171
CXDWHYOBSJTRJU-SRWWVFQWSA-N 		Algestone
16 alpha,17 alpha-dihydroxyprogesterone
16alpha,17-dihydroxypregn-4-ene-3,20-dione
Alphasone
O4
ST 21:3

kegg.compound:C06391
keggC:C06391
CXDWHYOBSJTRJU-SRWWVFQWSA-N 		Algestone
16alpha,17-Dihydroxypregn-4-ene-3,20-dione

keggC:M_C06391
seedM:M_cpd03826 		secondary/obsolete/fantasy identifier