Libertalide B (CHEBI:208580)

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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 B

ChEBI ID	CHEBI:208580

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H22O3

Net Charge

Average Mass

238.327

Monoisotopic Mass

238.15689

InChI

InChI=1S/C14H22O3/c1-9-4-5-11-10(8-9)6-7-13(2,17)14(11,3)12(15)16/h6-7,9-11,17H,4-5,8H2,1-3H3,(H,15,16)/t9-,10-,11-,13+,14-/m0/s1

InChIKey

QGAODQMXOPDFLY-JZKMBYMZSA-N

SMILES

O=C(O)[C@]1([C@](O)(C=C[C@@H]2[C@@H]1CC[C@@H](C2)C)C)C

ChEBI Ontology
Outgoing	Libertalide B (CHEBI:208580) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(1R,2R,4aR,6S,8aS)-2-hydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid