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breynceanothanolic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM103273

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

formula

C₂₉H₄₀O₅

charge

mass

468.28757

reference

chebi:67583

InChIKey

SNCMVKNGLNUISS-GCWSBASFSA-N

InChI

InChI=1S/C29H40O5/c1-16(2)18-7-9-25(21(30)31)12-13-26-19(20(18)25)8-10-28(33-22(26)32)24(26,6)11-14-27-23(4,5)15-17(3)29(27,28)34-27/h17-20H,1,7-15H2,2-6H3,(H,30,31)/t17-,18-,19+,20+,24-,25-,26+,27+,28+,29-/m0/s1

SMILES

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]34C(=O)O[C@]5(CC[C@@H]3[C@@H]12)[C@@]4(C)CC[C@]12O[C@@]15[C@@H](C)CC2(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67583 chebi:67583	breynceanothanolic acid (1S,3aR,5aS,5bS,7aS,10R,10aR,10bR,12aR,12bS)-1,3,3,5a-tetramethyl-15-oxo-10-(prop-1-en-2-yl)dodecahydro-1H,4H-3a,12b-epoxy-12a,5b-(epoxymethano)dicyclopenta[a,i]phenanthrene-7a(8H)-carboxylic acid 5alpha,10alpha-epoxy-9alpha,27alpha-lactone-25(10->2alpha)abeo-A(1)-norlup-20(29)-en-28-oic acid