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CHEBI:176301 - Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one

ChEBI IDCHEBI:176301
ChEBI NameBis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H60O7
Net Charge0
Average Mass724.979
Monoisotopic Mass724.43390
SMILESCOc1ccc(C(=O)OCC2(C)CCC3(C)CCC4(C)C5=C(CCC4(C)C3C2)C2(C)CCC(OC(=O)c3ccc(OC)cc3)C(C)(C)C2CC5=O)cc1
InChIInChI=1S/C46H60O7/c1-41(2)35-26-34(47)38-33(44(35,5)20-19-37(41)53-40(49)30-12-16-32(51-9)17-13-30)18-21-45(6)36-27-42(3,22-23-43(36,4)24-25-46(38,45)7)28-52-39(48)29-10-14-31(50-8)15-11-29/h10-17,35-37H,18-28H2,1-9H3
InChIKeyXIPDKLJUGQQUJU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one (CHEBI:176301) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
[10-(4-methoxybenzoyl)oxy-2,4a,6a,9,9,12a,14a-heptamethyl-7-oxo-3,4,5,6,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-2-yl]methyl 4-methoxybenzoate
Manual XrefsDatabases
HMDB0039970HMDB
35014908ChemSpider