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(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol

PropertiesImage
MNX_IDMNXM115319 Image of MNXM115319
referencechebi:168020
formulaC20H32O3
global charge0
mol weight320.473
InChIKeyHFKTUZJPXRDTKA-UHFFFAOYSA-N
InChIInChI=1S/C20H32O3/c1-17(2)13-7-8-20-9-11(19(4)16(20)23-19)5-6-14(20)18(13,3)10-12(21)15(17)22/h11-16,21-22H,5-10H2,1-4H3
SMILESCC1(C)C(O)C(O)CC2(C)C1CCC13CC(CCC21)C1(C)OC31
MNX internals
InChI (mnx)InChI=1/C20H32O3/c1-17(2)13-7-8-20-9-11(19(4)16(20)23-19)5-6-14(20)18(13,3)10-12(21)15(17)22/h11-16,21-22H,5-10H2,1-4H3/t11?,12?,13?,14?,15?,16?,18?,19?,20? Image of MNXM115319
SMILES (mnx)[CH3:1][C:17]1([CH3:2])[CH:13]2[CH2:7][CH2:8][C:20]34[CH2:9][CH:11]([CH2:5][CH2:6][CH:14]3[C:18]2([CH3:3])[CH2:10][CH:12]([OH:21])[CH:15]1[OH:22])[C:19]1([CH3:4])[CH:16]4[O:23]1
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:168020
chebi:168020
HFKTUZJPXRDTKA-UHFFFAOYSA-N
(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol
5,5,9,14-tetramethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecane-6,7-diol
hmdb:HMDB0038688
HFKTUZJPXRDTKA-UHFFFAOYSA-N
(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol
(ent-2a,3b,15b,16b)-15,16-Epoxy-2,3-kauranediol
(ent-2alpha,3beta,15beta,16beta)-15,16-epoxy-2,3-kauranediol
5,5,9,14-tetramethyl-15-oxapentacyclo[11.3.1.0¹,¹⁰.0⁴,⁹.0¹⁴,¹⁶]heptadecane-6,7-diol

hmdb:HMDB38688
secondary/obsolete/fantasy identifier