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gaudichaudiic acid G

Properties

Image

Occurences in reactions

MNX_ID

MNXM105330

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

formula

C₃₈H₄₀O₈

charge

mass

624.27232

reference

chebi:65951

InChIKey

QSMLJRUCZBGQPR-MGSFFUDNSA-N

InChI

InChI=1S/C38H40O8/c1-10-34(4,5)27-30-25(21-15-18(2)11-12-22(21)35(6,7)44-30)29(40)26-28(39)23-16-20-17-24-36(8,9)46-37(32(20)41,14-13-19(3)33(42)43)38(23,24)45-31(26)27/h10-13,15-16,20,24,40H,1,14,17H2,2-9H3,(H,42,43)/b19-13+/t20-,24+,37+,38-/m0/s1

SMILES

C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)c1ccc(C)cc1-3)C(=O)C1=C[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2

Parent-child relations graph

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:65951 chebi:65951	gaudichaudiic acid G (2E)-4-[(1S,3aR,5R,16aR)-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,7-tetrahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid