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Lagochilin

PropertiesImage
MNX_IDMNXM1128970 Image of MNXM1128970
referencechebi:167853
formulaC20H36O5
global charge0
mol weight356.503
InChIKeyXYPPDQHBNJURHU-IPOQXWOTSA-N
InChIInChI=1S/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-/m1/s1
SMILESC[C@@H]1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@](CO)(CCO)O2
MNX internals
InChI (mnx)InChI=1/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-/m1/s1 Image of MNXM1128970
SMILES (mnx)[CH3:1][C@@H:14]1[CH2:4][CH2:5][C@H:15]2[C@:17]([CH3:2])([CH2:12][OH:22])[C@@H:16]([OH:24])[CH2:6][CH2:7][C@:18]2([CH3:3])[C@@:20]12[CH2:9][CH2:8][C@:19]([CH2:10][CH2:11][OH:21])([CH2:13][OH:23])[O:25]2
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:167853
chebi:167853
XYPPDQHBNJURHU-IPOQXWOTSA-N 		Lagochilin
(1R,2S,4aS,5R,5'S,6R,8aS)-5'-(2-hydroxyethyl)-1,5'-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol

CHEBI:182708
chebi:182708
XYPPDQHBNJURHU-UHFFFAOYSA-N 		Lagochilline
5'-(2-hydroxyethyl)-1,5'-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol