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armatinol a

PropertiesImage
MNX_IDMNXM1131884 Image of MNXM1131884
referencechebi:229827
formulaC30H48O4
global charge0
mol weight472.71
InChIKeyGRJLJZNDSQXXQB-BVNPTOFLSA-N
InChIInChI=1S/C30H48O4/c1-18(2)19(3)7-8-20(4)24-9-10-25-23-15-27-30(34-27)16-22(32)11-14-29(30,17-33-21(5)31)26(23)12-13-28(24,25)6/h18,20,22-27,32H,3,7-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-/m1/s1
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(COC(C)=O)[C@H]3CC[C@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/C30H48O4/c1-18(2)19(3)7-8-20(4)24-9-10-25-23-15-27-30(34-27)16-22(32)11-14-29(30,17-33-21(5)31)26(23)12-13-28(24,25)6/h18,20,22-27,32H,3,7-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-/m1/s1 Image of MNXM1131884
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[C:19](=[CH2:3])[CH2:7][CH2:8][C@@H:20]([CH3:4])[C@H:24]1[CH2:9][CH2:10][C@H:25]2[C@@H:23]3[CH2:15][C@@H:27]4[C@@:30]5([CH2:16][C@@H:22]([OH:32])[CH2:11][CH2:14][C@:29]5([CH2:17][O:33][C:21]([CH3:5])=[O:31])[C@H:26]3[CH2:12][CH2:13][C@:28]12[CH3:6])[O:34]4
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:229827
chebi:229827
GRJLJZNDSQXXQB-BVNPTOFLSA-N 		armatinol a
[(1S,2R,5S,7S,9R,11S,12S,15R,16R)-5-hydroxy-16-methyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-2-yl]methyl acetate

lipidmaps:LMST01031163
lipidmapsM:LMST01031163
GRJLJZNDSQXXQB-BVNPTOFLSA-N 		Armatinol A
19-acetoxy-5beta,6beta-epoxy-24-methylenecholestan-3beta-ol
O4
ST 30:3