CHEBI:175403 - Isorosmanol

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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 Isorosmanol
ChEBI ID CHEBI:175403
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O5
Net Charge 0
Average Mass 346.423
Monoisotopic Mass 346.17802
InChI InChI=1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3/t15-,16+,17-,20-/m0/s1
InChIKey UXVPWKDITRJELA-CLWJZODNSA-N
SMILES O1[C@]2([C@H](O)[C@@]3([C@](CCCC3(C)C)(C=4C2=CC(=C(O)C4O)C(C)C)C1=O)[H])[H]
ChEBI Ontology
Outgoing Isorosmanol (CHEBI:175403) is a diterpene lactone (CHEBI:49193)
IUPAC Name
(1R,8R,9R,10S)-3,4,9-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Manual Xref Database
23339133 ChemSpider
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