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liphagal

PropertiesImage
MNX_IDMNXM106228 Image of MNXM106228
referencechebi:66578
formulaC22H28O4
global charge0
mol weight356.462
InChIKeyNVDJGYXDFMEUPO-KGFDFFDMSA-N
InChIInChI=1S/C22H28O4/c1-12-6-7-16-21(2,3)8-5-9-22(16,4)17-13-10-15(24)18(25)14(11-23)20(13)26-19(12)17/h10-12,16,24-25H,5-9H2,1-4H3/t12-,16+,22+/m1/s1
SMILESC[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)C2=C1OC1=C2C=C(O)C(O)=C1C=O
MNX internals
InChI (mnx)InChI=1/C22H28O4/c1-12-6-7-16-21(2,3)8-5-9-22(16,4)17-13-10-15(24)18(25)14(11-23)20(13)26-19(12)17/h10-12,16,24-25H,5-9H2,1-4H3/t12-,16+,22+/m1/s1 Image of MNXM106228
SMILES (mnx)[CH3:1][C@@H:12]1[CH2:6][CH2:7][C@H:16]2[C:21]([CH3:2])([CH3:3])[CH2:8][CH2:5][CH2:9][C@:22]2([CH3:4])[C:17]2=[C:19]1[O:26][C:20]1=[C:14]([CH:11]=[O:23])[C:18]([OH:25])=[C:15]([OH:24])[CH:10]=[C:13]21
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:66578
chebi:66578
NVDJGYXDFMEUPO-KGFDFFDMSA-N 		liphagal
(4aS,7R,12cS)-10,11-dihydroxy-4,4,7,12c-tetramethyl-2,3,4,4a,5,6,7,12c-octahydro-1H-benzo[b]benzo[6,7]cyclohepta[1,2-d]furan-9-carbaldehyde