CHEBI:205346 - Crinipellin B

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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 Crinipellin B
ChEBI ID CHEBI:205346
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O4
Net Charge 0
Average Mass 330.424
Monoisotopic Mass 330.18311
InChI InChI=1S/C20H26O4/c1-9(2)11-6-7-19-8-12-10(3)13(21)16-20(12,24-16)18(19,5)15(23)14(22)17(11,19)4/h9,11-12,15-16,23H,3,6-8H2,1-2,4-5H3/t11-,12-,15+,16-,17+,18+,19-,20+/m1/s1
InChIKey PBZBBNIYZKWVGM-NPWZTIOKSA-N
SMILES O=C1[C@]2([C@]3(C[C@@H]4C(=C)C([C@@H]5[C@@]4([C@]3([C@H]1O)C)O5)=O)CC[C@@H]2C(C)C)C
ChEBI Ontology
Outgoing Crinipellin B (CHEBI:205346) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1S,3R,6S,8R,9R,10R,12R,13R)-10-hydroxy-9,12-dimethyl-4-methylidene-13-propan-2-yl-7-oxapentacyclo[7.6.0.01,12.03,8.06,8]pentadecane-5,11-dione
Manual Xref Database
9231770 ChemSpider
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