CHEBI:181885 - [13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate

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ChEBI Name [13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
ChEBI ID CHEBI:181885
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H36O7
Net Charge 0
Average Mass 472.578
Monoisotopic Mass 472.24610
InChI InChI=1S/C27H36O7/c1-8-13(2)24(31)33-23-15(4)26(32)19-9-14(3)21(30)18(19)10-17(12-28)11-20(26)22-25(6,7)27(22,23)34-16(5)29/h8-9,11,15,18-20,22-23,28,32H,10,12H2,1-7H3/b13-8+
InChIKey KFNWMXLJLRPJCL-MDWZMJQESA-N
SMILES O(C12C(C1(C)C)C3C(O)(C(C2OC(=O)/C(/C)=C/C)C)C4C(CC(=C3)CO)C(=O)C(=C4)C)C(=O)C
ChEBI Ontology
Outgoing [13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate (CHEBI:181885) is a diterpenoid (CHEBI:23849)
IUPAC Name
[13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
Manual Xref Database
29814648 ChemSpider
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