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

Properties

Image

Occurences in reactions

MNX_ID

MNXM117650

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₀H₂₉ClO₇

charge

mass

416.16018

reference

InChIKey

IYBZGGXFPLMHRX-UHFFFAOYSA-N

InChI

InChI=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

SMILES

CC1=C2C(OC(=O)C(C)(O)C(C)Cl)C3(C)C(CCC(O)C3C)CC2(O)OC1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036524	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