Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:17:44 UTC
Update Date2022-08-31 06:26:31 UTC
Metabolite IDMMDBc0006949
Metabolite Identification
Common NameOphiobolin A lactone
DescriptionOphiobolin A lactone belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Based on a literature review very few articles have been published on Ophiobolin A lactone.
Structure
SynonymsNot Available
Molecular FormulaC25H36O4
Average Mass400.559
Monoisotopic Mass400.261359639
IUPAC Name(1'S,2S,3S,3'R,5R,7'R,13'S,15'R,16'S)-15'-hydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0^{3,7}.0^{13,16}]hexadecan]-9'-en-11'-one
Traditional Name(1'S,2S,3S,3'R,5R,7'R,13'S,15'R,16'S)-15'-hydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0^{3,7}.0^{13,16}]hexadecan]-9'-en-11'-one
CAS Registry NumberNot Available
SMILES
[H]\C1=C2/C(=O)O[C@@]3([H])C[C@@](C)(O)[C@@]([H])(C[C@@]4(C)CC[C@@]5(O[C@]([H])(C[C@]5([H])C)C=C(C)C)[C@]4([H])C1)[C@@]23[H]
InChI Identifier
InChI=1S/C25H36O4/c1-14(2)10-16-11-15(3)25(29-16)9-8-23(4)12-18-21-17(6-7-20(23)25)22(26)28-19(21)13-24(18,5)27/h6,10,15-16,18-21,27H,7-9,11-13H2,1-5H3/b17-6+/t15-,16-,18-,19-,20+,21+,23+,24+,25-/m0/s1
InChI KeyJRMCJWMKLHLRLM-XZKUGGLCSA-N