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rel-(+)-(1R,4S,10R)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide

Properties

Image

Occurences in reactions

MNX_ID

MNXM108472

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

formula

C₂₀H₃₀O₃

charge

mass

318.21949

reference

chebi:68867

InChIKey

KLOZYZWTTNSEEN-IBKADNNNSA-N

InChI

InChI=1S/C20H30O3/c1-14(2)16-7-8-17-13-18(23-19(17)21)12-15(3)6-5-10-20(4,22)11-9-16/h6,9,11,13-14,16,18,22H,5,7-8,10,12H2,1-4H3/b11-9+,15-6+/t16-,18+,20-/m0/s1

SMILES

C/C1=C\CC[C@](C)(O)/C=C/[C@@H](C(C)C)CCC2=C[C@@H](C1)OC2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68867 chebi:68867	rel-(+)-(1R,4S,10R)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide (4R,5E,7S,10E,13R*)-7-hydroxy-7,11-dimethyl-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one