Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 19:34:40 UTC
Update Date2022-08-31 06:17:55 UTC
Metabolite IDMMDBc0001309
Metabolite Identification
Common NameBrevione F
DescriptionBrevione F belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Based on a literature review very few articles have been published on Brevione F.
Structure
SynonymsNot Available
Molecular FormulaC27H32O5
Average Mass436.548
Monoisotopic Mass436.22497413
IUPAC Name(1S,4S,4aR,6aS,11aS,11bR)-1-hydroxy-3,4a,6',7,7',11a-hexamethyl-1,3',4',4a,5,6,6a,9,11a,11b-decahydrospiro[cyclohepta[a]naphthalene-4,2'-furo[3,2-c]pyran]-4',9-dione
Traditional Name(1S,4S,4aR,6aS,11aS,11bR)-1-hydroxy-3,4a,6',7,7',11a-hexamethyl-5,6,6a,11b-tetrahydro-1H,3'H-spiro[cyclohepta[a]naphthalene-4,2'-furo[3,2-c]pyran]-4',9-dione
CAS Registry NumberNot Available
SMILES
[H][C@]1(O)C=C(C)[C@@]2(CC3=C(O2)C(C)=C(C)OC3=O)[C@]2(C)CC[C@@]3([H])C(C)=CC(=O)C=C[C@]3(C)[C@@]12[H]
InChI Identifier
InChI=1S/C27H32O5/c1-14-11-18(28)7-9-25(5)20(14)8-10-26(6)23(25)21(29)12-15(2)27(26)13-19-22(32-27)16(3)17(4)31-24(19)30/h7,9,11-12,20-21,23,29H,8,10,13H2,1-6H3/t20-,21-,23+,25-,26+,27-/m0/s1
InChI KeyJTYNVLZPECDEQA-RLHAFYHFSA-N