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Macrocarpal H

Properties

Image

Occurences in reactions

MNX_ID

MNXM127594

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

formula

C₂₈H₄₀O₆

charge

mass

472.28249

reference

chebi:175710

InChIKey

OOAOETHJYYAVCC-GNLPDQNGSA-N

InChI

InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-,18+,21+,22+,28+/m1/s1

SMILES

C=C1CC[C@@H]([C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175710 chebi:175710	Macrocarpal H 5-[(1S)-1-[(1S,4aS,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
hmdb:HMDB0041586	Macrocarpal H 2,4,6-trihydroxy-5-{1-[6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-decahydronaphthalen-1-yl]-3-methylbutyl}benzene-1,3-dicarbaldehyde 2,4,6-trihydroxy-5-{1-[6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-octahydronaphthalen-1-yl]-3-methylbutyl}benzene-1,3-dicarbaldehyde
hmdb:HMDB41586	secondary/obsolete/fantasy identifier