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monacolin L

PropertiesImage
MNX_IDMNXM62339 Image of MNXM62339
referencechebi:50130
formulaC19H28O3
global charge0
mol weight304.43
InChIKeyBKZPCUPKVCPRQW-MHMDBQTNSA-N
InChIInChI=1S/C19H28O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h4-5,9,12-13,15-18,20H,3,6-8,10-11H2,1-2H3/t12-,13+,15-,16-,17+,18+/m1/s1
SMILESC[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2CC1
MNX internals
InChI (mnx)InChI=1/C19H28O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h4-5,9,12-13,15-18,20H,3,6-8,10-11H2,1-2H3/t12-,13+,15-,16-,17+,18+/m1/s1 Image of MNXM62339
SMILES (mnx)[CH3:1][C@@H:12]1[CH2:3][CH2:7][C@H:18]2[C:14](=[CH:9]1)[CH:5]=[CH:4][C@H:13]([CH3:2])[C@@H:17]2[CH2:8][CH2:6][C@@H:16]1[CH2:10][C@@H:15]([OH:20])[CH2:11][C:19](=[O:21])[O:22]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50130
chebi:50130
BKZPCUPKVCPRQW-MHMDBQTNSA-N 		monacolin L
(4R,6R)-6-{2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-4-hydroxyoxan-2-one
(4R,6R)-6-{2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-4-hydroxytetrahydro-2H-pyran-2-one
monacolin L lactone

metacyc.compound:CPD-16904
metacycM:CPD-16904
seed.compound:cpd34288
seedM:cpd34288
BKZPCUPKVCPRQW-MHMDBQTNSA-N 		monacolin L lactone

chebi:79043
seedM:M_cpd34288 		secondary/obsolete/fantasy identifier