CHEBI:217633 - [(9R,13R,14R,16R,17R)-16-[(1S)-1-[(2R,3S)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-14-yl] acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name [(9R,13R,14R,16R,17R)-16-[(1S)-1-[(2R,3S)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-14-yl] acetate
ChEBI ID CHEBI:217633
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H42O7
Net Charge 0
Average Mass 538.681
Monoisotopic Mass 538.29305
InChI InChI=1S/C32H42O7/c1-17-14-25(34)28(38-29(17)36)18(2)24-16-26(37-19(3)33)32(7)23-10-9-22-20(8-11-27(35)39-30(22,4)5)15-21(23)12-13-31(24,32)6/h8,11,14-15,18,22,24-26,28,34H,9-10,12-13,16H2,1-7H3/t18-,22+,24+,25-,26+,28+,31+,32+/m0/s1
InChIKey XNFBOJFRJTXMJL-XUONUPSOSA-N
SMILES O=C1OC([C@@H]2CCC=3[C@]4([C@]([C@@H]([C@@H]([C@H]5OC(=O)C(C)=C[C@@H]5O)C)C[C@H]4OC(=O)C)(C)CCC3C=C2C=C1)C)(C)C
Metabolite of Species Details
Scleroderma areolatum (NCBI:txid150796) See: PubMed
ChEBI Ontology
Outgoing [(9R,13R,14R,16R,17R)-16-[(1S)-1-[(2R,3S)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-14-yl] acetate (CHEBI:217633) is a carbonyl compound (CHEBI:36586)
IUPAC Name
[(9R,13R,14R,16R,17R)-16-[(1S)-1-[(2R,3S)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-14-yl] acetate
Manual Xref Database
103881525 ChemSpider
View more database links