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

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ChEBI Name Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one
ChEBI ID CHEBI:176301
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H60O7
Net Charge 0
Average Mass 724.979
Monoisotopic Mass 724.43390
InChI InChI=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
InChIKey XIPDKLJUGQQUJU-UHFFFAOYSA-N
SMILES O=C1C=2C3(C(C4C(CC3)(CCC(C4)(COC(=O)C5=CC=C(OC)C=C5)C)C)(CCC2C6(C(C(C(OC(=O)C7=CC=C(OC)C=C7)CC6)(C)C)C1)C)C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
35014908 ChemSpider
HMDB0039970 HMDB
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