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ent-cassa-12,15-diene-2beta,3beta-diol-11-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM116118

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

formula

C₂₀H₃₀O₃

charge

mass

318.21949

reference

metacycM:CPD-16676

InChIKey

ZFELGQUOUOELBZ-JNLXGNGJSA-N

InChI

InChI=1S/C20H30O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3/t11-,13?,15-,16-,17+,18-,20-/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-16676 metacycM:CPD-16676	ent-cassa-12,15-diene-2beta,3beta-diol-11-one (2alpha,3alpha,14alpha)-2,3-dihydroxy-14-methyl-13-vinylpodocarp-12-en-11-one 2,3alpha-diol-11-oxo-ent-cassa-12,15-diene ent-2beta,3beta-dihydroxy-cassa-12,15-diene-11-one
seed.compound:cpd33450 seedM:cpd33450	(2alpha,3alpha,14alpha)-2,3-dihydroxy-14-methyl-13-vinylpodocarp-12-en-11-one 2,3alpha-diol-11-oxo-ent-cassa-12,15-diene ent-2beta,3beta-dihydroxy-cassa-12,15-diene-11-one ent-cassa-12,15-diene-2beta,3beta-diol-11-one
seed.compound:cpd28866 seedM:cpd28866	ent-cassa-12,15-diene-2,3alpha-ol-11-keto ent-cassadiene-2,3alpha-ol-11-keto
seedM:M_cpd28866 seedM:M_cpd33450	secondary/obsolete/fantasy identifier