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7-Oxateasterone

MNXM10431 is deprecated and here replaced by MNXM726211
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726211 Image of MNXM726211
referencechebi:81305
formulaC28H48O5
global charge0
mol weight464.687
InChIKeyLLFIMDUWAVPJEJ-DFZGJWFWSA-N
InChIInChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18-,19?,20?,21?,22?,23?,24+,25+,27+,28+/m0/s1
SMILESCC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C1CCC2C3COC(=O)C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18-,19?,20?,21?,22?,23?,24+,25+,27+,28+/m0/s1 Image of MNXM726211
SMILES (mnx)[CH3:1][CH:15]([CH3:2])[C@H:16]([CH3:3])[C@H:24]([C@@H:25]([C@@H:17]([CH3:4])[CH:20]1[CH2:7][CH2:8][CH:21]2[CH:19]3[CH2:14][O:33][C:26](=[O:32])[CH:23]4[CH2:13][C@@H:18]([OH:29])[CH2:9][CH2:11][C@:28]4([CH3:6])[CH:22]3[CH2:10][CH2:12][C@:27]12[CH3:5])[OH:31])[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:81305
chebi:81305
kegg.compound:C17733
keggC:C17733
LLFIMDUWAVPJEJ-DFZGJWFWSA-N 		7-Oxateasterone
(22R,23R,24S)-3beta,22,23-Trihydroxy-7-oxa-5alpha-ergostane-6-one

keggC:M_C17733 		secondary/obsolete/fantasy identifier