(Q104992388)

English

(1'R,2R,2'R,7'R,10'R,11'S)-11'-(acetyloxy)-10'-hydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate

group of stereoisomers with the chemical formula C₁₉H₂₄O₈

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Statements

instance of

group of stereoisomers

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subclass of

trichothecane sesquiterpenoid

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inferred from

trichothecane sesquiterpenoid

mass

380.14711772799996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₉H₂₄O₈

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canonical SMILES

O=C(OCC12CC(=O)C(=CC2OC3C(O)C(OC(=O)C)C1(C)C43OC4)C)C

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isomeric SMILES

CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1OC1[C@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@@]12CO2

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Identifiers

InChI

InChI=1S/C19H24O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,13-16,23H,6-8H2,1-4H3/t13-,14-,15-,16?,17+,18-,19-/m1/s1

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InChIKey

FAQMCKSIBZGZIB-JGALZJIRSA-N

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(Q104992388)

(1'R,2R,2'R,7'R,10'R,11'S)-11'-(acetyloxy)-10'-hydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate

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