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Lesterone

PropertiesImage
MNX_IDMNXM1131824 Image of MNXM1131824
referencelipidmapsM:LMST01010438
formulaC27H44O8
global charge0
mol weight496.641
InChIKeyWSBAGDDNVWTLOM-VVSHHXAUSA-N
InChIInChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17-,18+,19-,20-,21+,22+,24-,25+,26+,27+/m0/s1
SMILESCC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17-,18+,19-,20-,21+,22+,24-,25+,26+,27+/m0/s1 Image of MNXM1131824
SMILES (mnx)[CH3:1][C:23]([CH3:2])([CH2:8][CH2:7][C@H:21]([C@@:26]([CH3:5])([C@H:20]1[CH2:6][CH2:9][C@@:27]2([OH:35])[C:15]3=[CH:11][C:16](=[O:28])[C@@H:14]4[CH2:10][C@H:17]([OH:29])[C@H:18]([OH:30])[CH2:12][C@:24]4([CH3:3])[C@H:22]3[C@@H:19]([OH:31])[CH2:13][C@:25]12[CH3:4])[OH:34])[OH:32])[OH:33]
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

lipidmaps:LMST01010438
lipidmapsM:LMST01010438
WSBAGDDNVWTLOM-VVSHHXAUSA-N 		Lesterone
2alpha,3alpha,11beta,14alpha,20R,22R,25-heptahydroxy-5beta-cholest-7-en-6-one
O8
ST 27:2