Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 02:40:57 UTC
Update Date2022-08-31 06:31:52 UTC
Metabolite IDMMDBc0010537
Metabolite Identification
Common Name4'-Deoleandrosyl-6,8a-seco-6,8a-deoxy-5-
Description4'-Deoleandrosyl-6,8a-seco-6,8a-deoxy-5- belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Based on a literature review very few articles have been published on 4'-Deoleandrosyl-6,8a-seco-6,8a-deoxy-5-.
Structure
SynonymsNot Available
Molecular FormulaC41H60O10
Average Mass712.921
Monoisotopic Mass712.418648132
IUPAC Name(10'Z,12'Z,16'Z)-6-(butan-2-yl)-9'-hydroxy-15'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5,6',10',14',16'-pentamethyl-5,6-dihydro-2',20'-dioxaspiro[pyran-2,21'-tricyclo[17.3.1.0^{4,9}]tricosane]-5',10',12',16'-tetraene-3',7'-dione
Traditional Name(10'Z,12'Z,16'Z)-9'-hydroxy-15'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5,6',10',14',16'-pentamethyl-6-(sec-butyl)-5,6-dihydro-2',20'-dioxaspiro[pyran-2,21'-tricyclo[17.3.1.0^{4,9}]tricosane]-5',10',12',16'-tetraene-3',7'-dione
CAS Registry NumberNot Available
SMILES
[H]\C1=C(C)\C(OC2CC(OC)C(O)C(C)O2)C(C)\C([H])=C(\[H])/C(/[H])=C(C)\C2(O)CC(=O)C(C)=CC2C(=O)OC2CC(C1)OC1(C2)OC(C(C)CC)C(C)C=C1
InChI Identifier
InChI=1S/C41H60O10/c1-10-23(2)38-26(5)16-17-40(51-38)21-31-19-30(50-40)15-14-25(4)37(49-35-20-34(46-9)36(43)29(8)47-35)24(3)12-11-13-28(7)41(45)22-33(42)27(6)18-32(41)39(44)48-31/h11-14,16-18,23-24,26,29-32,34-38,43,45H,10,15,19-22H2,1-9H3/b12-11-,25-14-,28-13-
InChI KeyIYBATDVJOWONSJ-PIJYGZGWSA-N