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delta3,5-Deoxyneotigogenin

Properties

Image

Occurences in reactions

MNX_ID

MNXM124289

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

formula

C₂₇H₄₀O₂

charge

mass

396.30283

reference

hmdb:HMDB0034421

InChIKey

YEQBGJNMHDZXRG-HCDRJGBUSA-N

InChI

InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18-,20?,21?,22?,23-,24-,25-,26-,27+/m0/s1

SMILES

C[C@H]1CC[C@@]2(OC1)O[C@H]1CC3C4CC=C5C=CCC[C@]5(C)C4CC[C@]3(C)[C@H]1[C@@H]2C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0034421	delta3,5-Deoxyneotigogenin (2R,4'S,5S,7'S,8'R,9'S,13'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',18'-diene D3,5-Deoxyneotigogenin delta3,5-deoxyneotigogenin
hmdb:HMDB34421	secondary/obsolete/fantasy identifier