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Carindone

Properties

Image

Occurences in reactions

MNX_ID

MNXM120282

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

formula

C₃₁H₄₄O₆

charge

mass

512.31379

reference

chebi:168592

InChIKey

SKUVBRVOKSCXDJ-UHFFFAOYSA-N

InChI

InChI=1S/C31H44O6/c1-16-21-14-19(28(5,6)36)10-12-30(21,8)26-22(23(16)32)25(34)31(37-26)15-29(7)11-9-18(27(3,4)35)13-20(29)17(2)24(31)33/h18-19,22,26,35-36H,9-15H2,1-8H3

SMILES

CC1=C2CC(C(C)(C)O)CCC2(C)CC2(OC3C(C(=O)C(C)=C4CC(C(C)(C)O)CCC43C)C2=O)C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168592 chebi:168592	Carindone 7,7'-bis(2-hydroxypropan-2-yl)-1',4'a,5,9a-tetramethylspiro[3a,6,7,8,9,9b-hexahydrobenzo[g][1]benzouran-2,3'-5,6,7,8-tetrahydro-4H-naphthalene]-2',3,4-trione
hmdb:HMDB0038189	Carindone 6,7'-bis(2-hydroxypropan-2-yl)-4,5',8a,9'a-tetramethyl-3'a,5,6,6',7,7',8,8',9',9'b-decahydro-1H-spiro[naphthalene-2,2'-naphtho[1,2-b]furan]-3,3',4'-trione 6,7'-bis(2-hydroxypropan-2-yl)-4,5',8a,9'a-tetramethyl-3,3'a,4',5,6,6',7,7',8,8',8a,9',9'a,9'b-tetradecahydro-1H,3'H-spiro[naphthalene-2,2'-naphtho[1,2-b]furan]-3,3',4'-trione
hmdb:HMDB38189	secondary/obsolete/fantasy identifier