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(22E,24R)-Stigmasta-4,22-diene-3,6-dione

Properties

Image

Occurences in reactions

MNX_ID

MNXM114944

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

formula

C₂₉H₄₄O₂

charge

mass

424.33413

reference

chebi:169484

InChIKey

XWHBTBBUPBKDBB-CMDGGOBGSA-N

InChI

InChI=1S/C29H44O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25H,7,10-15,17H2,1-6H3/b9-8+

SMILES

CCC(/C=C/C(C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:169484 chebi:169484	(22E,24R)-Stigmasta-4,22-diene-3,6-dione 17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
hmdb:HMDB0038656	(22E,24R)-Stigmasta-4,22-diene-3,6-dione 14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,8-dione
hmdb:HMDB38656	secondary/obsolete/fantasy identifier