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Carindone

PropertiesImage
MNX_IDMNXM120282 Image of MNXM120282
referencechebi:168592
formulaC31H44O6
global charge0
mol weight512.687
InChIKeySKUVBRVOKSCXDJ-UHFFFAOYSA-N
InChIInChI=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
SMILESCC1=C2CC(C(C)(C)O)CCC2(C)CC2(OC3C(C(=O)C(C)=C4CC(C(C)(C)O)CCC43C)C2=O)C1=O
MNX internals
InChI (mnx)InChI=1/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/t18?,19?,22?,26?,29?,30?,31? Image of MNXM120282
SMILES (mnx)[CH3:1][C:16]1=[C:21]2[CH2:14][CH:19]([C:28]([CH3:5])([CH3:6])[OH:36])[CH2:10][CH2:12][C:30]2([CH3:8])[CH:26]2[CH:22]([C:23]1=[O:32])[C:25](=[O:34])[C:31]1([CH2:15][C:29]3([CH3:7])[CH2:11][CH2:9][CH:18]([C:27]([CH3:3])([CH3:4])[OH:35])[CH2:13][C:20]3=[C:17]([CH3:2])[C:24]1=[O:33])[O:37]2
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:168592
chebi:168592
SKUVBRVOKSCXDJ-UHFFFAOYSA-N 		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
SKUVBRVOKSCXDJ-UHFFFAOYSA-N 		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