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3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide

PropertiesImage
MNX_IDMNXM117650 Image of MNXM117650
referencechebi:178472
formulaC20H29ClO7
global charge0
mol weight416.898
InChIKeyIYBZGGXFPLMHRX-UHFFFAOYSA-N
InChIInChI=1S/C20H29ClO7/c1-9-14-15(27-17(24)19(5,25)11(3)21)18(4)10(2)13(22)7-6-12(18)8-20(14,26)28-16(9)23/h10-13,15,22,25-26H,6-8H2,1-5H3
SMILESCC1=C2C(OC(=O)C(C)(O)C(C)Cl)C3(C)C(CCC(O)C3C)CC2(O)OC1=O
MNX internals
InChI (mnx)InChI=1/C20H29ClO7/c1-9-14-15(27-17(24)19(5,25)11(3)21)18(4)10(2)13(22)7-6-12(18)8-20(14,26)28-16(9)23/h10-13,15,22,25-26H,6-8H2,1-5H3/t10?,11?,12?,13?,15?,18?,19?,20? Image of MNXM117650
SMILES (mnx)[CH3:1][C:9]1=[C:14]2[CH:15]([O:27][C:17]([C:19]([CH3:5])([CH:11]([CH3:3])[Cl:21])[OH:25])=[O:24])[C:18]3([CH3:4])[CH:10]([CH3:2])[CH:13]([OH:22])[CH2:7][CH2:6][CH:12]3[CH2:8][C:20]2([OH:26])[O:28][C:16]1=[O:23]
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:178472
chebi:178472
IYBZGGXFPLMHRX-UHFFFAOYSA-N 		3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide
(6,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) 3-chloro-2-hydroxy-2-methylbutanoate
hmdb:HMDB0036524
IYBZGGXFPLMHRX-UHFFFAOYSA-N 		3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide
6,9a-Dihydroxy-3,4a,5-trimethyl-2-oxo-2H,4H,4ah,5H,6H,7H,8H,8ah,9H,9ah-naphtho[2,3-b]furan-4-yl 3-chloro-2-hydroxy-2-methylbutanoic acid
6,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-4-yl 3-chloro-2-hydroxy-2-methylbutanoate
6,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-4H,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-4-yl 3-chloro-2-hydroxy-2-methylbutanoate

hmdb:HMDB36524 		secondary/obsolete/fantasy identifier