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18-hydroxypregna-1,4,20-trien-3-one

PropertiesImage
MNX_IDMNXM25938 Image of MNXM25938
referencechebi:186912
formulaC21H28O2
global charge0
mol weight312.453
InChIKeyLPXBEBAANZZYRB-HIQBCGIASA-N
InChIInChI=1S/C21H28O2/c1-3-14-5-7-19-17-6-4-15-12-16(23)8-10-20(15,2)18(17)9-11-21(14,19)13-22/h3,8,10,12,14,17-19,22H,1,4-7,9,11,13H2,2H3/t14-,17+,18-,19-,20-,21-/m0/s1
SMILESC=C[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12CO
MNX internals
InChI (mnx)InChI=1/C21H28O2/c1-3-14-5-7-19-17-6-4-15-12-16(23)8-10-20(15,2)18(17)9-11-21(14,19)13-22/h3,8,10,12,14,17-19,22H,1,4-7,9,11,13H2,2H3/t14-,17+,18-,19-,20-,21-/m0/s1 Image of MNXM25938
SMILES (mnx)[CH2:1]=[CH:3][C@H:14]1[CH2:5][CH2:7][C@H:19]2[C@@H:17]3[CH2:6][CH2:4][C:15]4=[CH:12][C:16](=[O:23])[CH:8]=[CH:10][C@:20]4([CH3:2])[C@H:18]3[CH2:9][CH2:11][C@:21]12[CH2:13][OH:22]
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:186912
chebi:186912
LPXBEBAANZZYRB-HIQBCGIASA-N 		18-hydroxypregna-1,4,20-trien-3-one
(8R,9S,10R,13S,14S,17R)-17-ethenyl-13-(hydroxymethyl)-10-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

lipidmaps:LMST02030209
lipidmapsM:LMST02030209
LPXBEBAANZZYRB-HIQBCGIASA-N 		18-hydroxypregna-1,4,20-trien-3-one
O2
ST 21:4