CHEBI:225927 - Colobetaolactone VII

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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 Colobetaolactone VII
ChEBI ID CHEBI:225927
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H50O7
Net Charge 0
Average Mass 558.756
Monoisotopic Mass 558.35565
InChI InChI=1S/C33H50O7/c1-20-9-11-26(40-29(20)36)21(2)23-13-16-32(7)24-10-12-27(30(4,5)37)33(19-39-22(3)34,18-15-28(35)38-8)25(24)14-17-31(23,32)6/h9,21,23,26-27,37H,10-19H2,1-8H3/t21-,23+,26?,27-,31+,32-,33-/m0/s1
InChIKey YIMPDIICGCPBOQ-SDKOZOBTSA-N
SMILES O=C1OC([C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]([C@H](C(O)(C)C)CC4)(COC(=O)C)CCC(=O)OC)CC3)(C)CC2)C)C)CC=C1C
Metabolite of Species Details
Ganoderma colossus (NCBI:txid36070) See: PubMed
ChEBI Ontology
Outgoing Colobetaolactone VII (CHEBI:225927) is a triterpenoid (CHEBI:36615)
IUPAC Name
methyl 3-[(3R,3aR,6R,7R,9bR)-6-(acetyloxymethyl)-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-3-[(1S)-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-6-yl]propanoate
Manual Xref Database
78437792 ChemSpider
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