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5,6:8,9-Diepoxyergost-22-ene-3,7beta-diol

Properties

Image

Occurences in reactions

MNX_ID

MNXM118095

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

formula

C₂₈H₄₄O₄

charge

mass

444.32396

reference

hmdb:HMDB0033647

InChIKey

KAQBBVJKPGNKRN-BQYQJAHWSA-N

InChI

InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-24(20,5)13-14-27-25(6)12-11-19(29)15-26(25)23(31-26)22(30)28(21,27)32-27/h7-8,16-23,29-30H,9-15H2,1-6H3/b8-7+

SMILES

CC(C)C(C)/C=C/C(C)C1CCC2C1(C)CCC13OC21C(O)C1OC12CC(O)CCC23C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0033647	5,6:8,9-Diepoxyergost-22-ene-3,7beta-diol 15-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8,19-dioxahexacyclo[9.7.1.0¹,¹¹.0²,⁷.0⁷,⁹.0¹²,¹⁶]nonadecane-5,10-diol 5,6:8,9-Diepoxy-24-methylcholest-22-ene-3,7-diol 5,6:8,9-Diepoxyergost-22-ene-3,7-diol 5,6:8,9-Diepoxyergost-22-ene-3,7b-diol
hmdb:HMDB33647	secondary/obsolete/fantasy identifier