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7-deacetylgedunin

Properties

Image

Occurences in reactions

MNX_ID

MNXM102156

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

formula

C₂₆H₃₂O₆

charge

mass

440.21989

reference

chebi:67296

InChIKey

HCEYJYMNIQHPPK-DXTZDJJUSA-N

InChI

InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,18-20,28H,6,10,12H2,1-5H3/t15-,16+,18-,19+,20-,23-,24+,25+,26-/m1/s1

SMILES

CC1(C)C(=O)C=C[C@@]2(C)[C@H]1C[C@@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67296 chebi:67296	7-deacetylgedunin (4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-10-(furan-3-yl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-4a,5,6,6a,10,10a,11,12,12a,12b-decahydronaphtho[2,1-f]oxireno[d]isochromene-3,8(4H,7aH)-dione (5alpha,7alpha,13alpha,14beta,15beta,17aalpha)-14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-D-homo-24-nor-17-oxachlola-1,20-,22-triene-3,16-dione 7-deacetoxy-7alpha-hydroxygedunin deacetylgedunin