CHEBI:181801 - Clovanediol diacetate

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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 Clovanediol diacetate
ChEBI ID CHEBI:181801
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H30O4
Net Charge 0
Average Mass 322.445
Monoisotopic Mass 322.21441
InChI InChI=1S/C19H30O4/c1-12(20)22-15-7-9-19-11-18(15,5)8-6-14(19)17(3,4)10-16(19)23-13(2)21/h14-16H,6-11H2,1-5H3
InChIKey ILEDHMVFQOCEJU-UHFFFAOYSA-N
SMILES O(C1C23C(C(C1)(C)C)CCC(C2)(C(OC(=O)C)CC3)C)C(=O)C
ChEBI Ontology
Outgoing Clovanediol diacetate (CHEBI:181801) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(2-acetyloxy-4,4,8-trimethyl-9-tricyclo[6.3.1.01,5]dodecanyl) acetate
Manual Xref Database
3656326 ChemSpider
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