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Calanolide E2 (diastereoisomer of calanolide E1)

Properties

Image

Occurences in reactions

MNX_ID

MNXM103395

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

formula

C₂₂H₂₈O₆

charge

mass

388.18859

reference

InChIKey

QVXVUACNNIWBIU-UHFFFAOYSA-N

InChI

InChI=1S/C22H28O6/c1-6-7-13-10-15(24)27-21-16(13)20-14(8-9-22(4,5)28-20)19(26)17(21)18(25)11(2)12(3)23/h8-9,11-13,23,26H,6-7,10H2,1-5H3

SMILES

CCCC1CC(=O)Oc2c(C(=O)C(C)C(C)O)c(O)c3c(c21)OC(C)(C)C=C3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65554 chebi:65554	Calanolide E2 (diastereoisomer of calanolide E1) 2,2-Dimethyl-5-hydroxy-6-(1-oxo-2-methyl-3-hydroxybutyl)-10-propyl-benzo[1,2-b'4,3-b']dipyran-8-one 2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one, 9,10-dihydro-5-hydroxy-6-(3-hydroxy-2-methyl-1-oxobutyl)-2,2-dimethyl-10-propyl- 5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2-dimethyl-10-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-8-one 5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2-dimethyl-10-propyl-9,10-dihydropyrano[2,3-f]chromen-8-one