Structure Database (LMSD)

Common Name
Anhydroperidinin
Systematic Name
5,6-Epoxy-3'-ethanoyloxy-3-hydroxy-6',7'-didehydro-5,6-dihydro-12',13',20'-trinor-β,ε-caroten-19,11-olide
Synonyms
LM ID
LMPR01070960
Formula
C39H48O6
Exact Mass
Calculate m/z
612.34509
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

References

Comments
Imported from http://carotenoiddb.jp/

String Representations

InChiKey (Click to copy)
HWJNHDJHAIBLEX-SSWYIGFUSA-N
InChi (Click to copy)
InChI=1S/C39H48O6/c1-26(16-17-34-28(3)21-33(43-29(4)40)25-36(34,5)6)14-12-10-11-13-15-27(2)20-32-22-30(35(42)44-32)18-19-39-37(7,8)23-31(41)24-38(39,9)45-39/h10-16,18-22,31,33,41H,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,32-20-/t17?,31-,33?,38?,39?/m0/s1
SMILES (Click to copy)
C/C(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(/C=C/C23C(C)(C)C[C@@H](CC2(C)O3)O)C(=O)O1)/C=C=C1C(=CC(CC1(C)C)OC(=O)C)C

Other Databases

PubChem CID
163022870
Carotenoid ID
CA00675

Admin

Created at
17th Nov 2021
Updated at
-