MetaboLights
A natural product found in Euscaphis japonica.
Identification
Molecular Formula
C30H44O4
Mass
468.66800
Monoisotopic Mass
468.32396
Charge
0
InChI
InChI=1S/C30H44O4/c1-17-7-11-28(24(33)34)13-14-30-16-29(30,22(28)18(17)2)12-9-21-26(5)15-19(31)23(32)25(3,4)20(26)8-10-27(21,30)6/h9,12,17,19-23,31-32H,2,7-8,10-11,13-16H2,1,3-6H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28+,29-,30-/m1/s1
InChIKey
BHYFAPCVVRZAQZ-KYHYGKICSA-N
SMILES
[H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)C(=C)[C@@]53[H])C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C
Synonyms
2alpha,3beta-dihydroxy-13alpha,27-cyclours-11,29-dien-28-oic acid
Species
euscaphis japonica
NCBI:txid210332 10.1021/np1003593