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Isolimonic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM126881

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

formula

C₂₆H₃₄O₁₀

charge

mass

506.2152

reference

hmdb:HMDB0038170

InChIKey

JSDNZHXBKWCZDG-RWQHKGFASA-N

InChI

InChI=1S/C26H34O10/c1-22(2)15-9-16(27)24(4)14(25(15,12-35-22)17(28)10-18(29)30)5-7-23(3,19(31)13-6-8-34-11-13)26(24)20(36-26)21(32)33/h6,8,11,14-15,17,19-20,28,31H,5,7,9-10,12H2,1-4H3,(H,29,30)(H,32,33)/t14?,15?,17?,19-,20+,23-,24-,25+,26+/m0/s1

SMILES

CC1(C)OC[C@]2(C(O)CC(=O)O)C1CC(=O)[C@]1(C)C2CC[C@@](C)([C@@H](O)c2ccoc2)[C@@]12O[C@@H]2C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0038170	Isolimonic acid (3'S,5aR,6R,7S,9bR)-9b-(2-carboxy-1-hydroxyethyl)-7-[(R)-furan-3-yl(hydroxy)methyl]-3,3,5a,7-tetramethyl-5-oxo-decahydro-1H-spiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid (3'S,5aR,6R,7S,9bR)-9b-(2-carboxy-1-hydroxyethyl)-7-[(R)-furan-3-yl(hydroxy)methyl]-3,3,5a,7-tetramethyl-5-oxo-hexahydrospiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid (3's,5AR,6R,7S,9BR)-9b-(2-carboxy-1-hydroxyethyl)-7-[(R)-(furan-3-yl)(hydroxy)methyl]-3,3,5a,7-tetramethyl-5-oxo-decahydro-1H-spiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylate Isolimonate
hmdb:HMDB38170	secondary/obsolete/fantasy identifier