CHEBI:175864 - Sugetriol triacetate

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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 Sugetriol triacetate
ChEBI ID CHEBI:175864
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O6
Net Charge 0
Average Mass 378.465
Monoisotopic Mass 378.20424
InChI InChI=1S/C21H30O6/c1-10-17(26-13(4)23)9-21-11(2)16(25-12(3)22)8-15(20(21,6)7)19(18(10)21)27-14(5)24/h11,15-17,19H,8-9H2,1-7H3/t11-,15-,16+,17+,19+,21+/m1/s1
InChIKey LCYMMMXHRHJXJB-ZHOQLOPFSA-N
SMILES O([C@H]1[C@@]2(C([C@@]3([C@@H]([C@@H](OC(=O)C)C2)C)C1=C([C@@H](OC(=O)C)C3)C)(C)C)[H])C(=O)C
ChEBI Ontology
Outgoing Sugetriol triacetate (CHEBI:175864) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[(1R,3S,6S,7S,9S,10S)-3,6-diacetyloxy-4,10,11,11-tetramethyl-9-tricyclo[5.3.1.01,5]undec-4-enyl] acetate
Manual Xref Database
103882619 ChemSpider
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