CHEBI:208546 - Libertalide J

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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 Libertalide J
ChEBI ID CHEBI:208546
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H29ClO5
Net Charge 0
Average Mass 360.880
Monoisotopic Mass 360.17035
InChI InChI=1S/C18H29ClO5/c1-10-5-6-13-12(9-10)15(19)16(22)18(4,23)17(13,3)14(21)7-8-24-11(2)20/h10,12-13,15-16,22-23H,5-9H2,1-4H3/t10-,12-,13-,15-,16+,17-,18+/m0/s1
InChIKey OYBVESAOVNAGHY-ITFVFLAVSA-N
SMILES Cl[C@@H]1[C@@H](O)[C@@](O)([C@@](C(=O)CCOC(=O)C)(C)[C@@H]2[C@@H]1C[C@@H](C)CC2)C
ChEBI Ontology
Outgoing Libertalide J (CHEBI:208546) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
[3-[(1R,2S,3S,4S,4aS,6S,8aS)-4-chloro-2,3-dihydroxy-1,2,6-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-oxopropyl] acetate
Manual Xref Database
78439022 ChemSpider
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