CHEBI:221547 - Dasyscyphin A

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ChEBI Name Dasyscyphin A
ChEBI ID CHEBI:221547
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O4
Net Charge 0
Average Mass 364.526
Monoisotopic Mass 364.26136
InChI InChI=1S/C22H36O4/c1-12-10-14(23)13-11-16-20(4)8-7-17(24)19(2,3)15(20)6-9-21(16,5)22(13,26)18(12)25/h12-17,23-24,26H,6-11H2,1-5H3/t12-,13+,14+,15-,16+,17-,20-,21-,22-/m0/s1
InChIKey BAEMUVUHSXFRBX-FMVSEYOSSA-N
SMILES O=C1[C@]2(O)[C@@]3([C@@H]([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)C[C@@H]2[C@H](O)C[C@@H]1C)C
Metabolite of Species Details
Dasyscyphus (NCBI:txid318839) See: DOI
ChEBI Ontology
Outgoing Dasyscyphin A (CHEBI:221547) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(3S,4aR,6aS,6bR,8S,10R,10aR,11aR,11bS)-3,6b,10-trihydroxy-4,4,6a,8,11b-pentamethyl-1,2,3,4a,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[a]luoren-7-one
Manual Xref Database
9676270 ChemSpider
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