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(+)-phytocassane E

Properties

Image

Occurences in reactions

MNX_ID

MNXM114782

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₀H₂₈O₃

charge

mass

316.20384

reference

chebi:72675

InChIKey

MMRGGLJWHXYKLZ-NEYRYYQWSA-N

InChI

InChI=1S/C20H28O3/c1-6-12-9-14(21)18-13(11(12)2)7-8-15-19(3,4)16(22)10-17(23)20(15,18)5/h6,9,11,13,15,17-18,23H,1,7-8,10H2,2-5H3/t11-,13-,15-,17+,18+,20+/m1/s1

SMILES

C=CC1=CC(=O)[C@@H]2[C@H](CC[C@@H]3C(C)(C)C(=O)C[C@H](O)[C@]32C)[C@@H]1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72675 chebi:72675	(+)-phytocassane E (1alpha,5beta,8alpha,9beta,10alpha,14beta)-1-hydroxy-14-methyl-13-vinylpodocarp-12-ene-3,11-dione (4S,4aR,4bR,8S,8aR,10aS)-4-hydroxy-1,1,4a,8-tetramethyl-7-vinyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydrophenanthrene-2,5-dione (4S,4aR,4bR,8S,8aR,10aS)-7-ethenyl-4-hydroxy-1,1,4a,8-tetramethyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydrophenanthrene-2,5-dione 1alpha-hydroxy-14beta-methyl-13-vinyl-5beta,8alpha,9beta,10alpha-podocarp-12-ene-3,11-dione ent-1beta-hydroxy-12,15-cassadiene-3,11-dione phytocassane E
seed.compound:cpd31590 seedM:cpd31590	(1beta,14alpha)-1-hydroxy-14-methyl-13-vinylpodocarp-12-ene-3,11-dione
seed.compound:cpd28872 seedM:cpd28872	1beta-hydroxy-12,15-cassadien-3,11-dione phytocassane E
hmdb:HMDB0031773	Phytocassane E 1-Hydroxy-12,15-cassadiene-3,11-dione 7-ethenyl-4-hydroxy-1,1,4a,8-tetramethyl-1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydrophenanthrene-2,5-dione 7-ethenyl-4-hydroxy-1,1,4a,8-tetramethyl-3,4,4b,8,8a,9,10,10a-octahydrophenanthrene-2,5-dione Phytocassane el
metacyc.compound:CPD-16674 metacycM:CPD-16674	phytocassane E (1beta,14alpha)-1-hydroxy-14-methyl-13-vinylpodocarp-12-ene-3,11-dione
hmdb:HMDB31773 seedM:M_cpd28872 seedM:M_cpd31590	secondary/obsolete/fantasy identifier