(Q105277901)

English

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

group of stereoisomers with the chemical formula C₁₉H₂₆O₈

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instance of

group of stereoisomers

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subclass of

trichothecane sesquiterpenoid

1 reference

inferred from

trichothecane sesquiterpenoid

mass

382.16276779199995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₉H₂₆O₈

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canonical SMILES

O=C(OC1C(=CC2OC3C(O)C(OC(=O)C)C(C)(C43OC4)C2(CO)C1)C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@]2(CO)[C@@H](C=C1C)OC1[C@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2

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Identifiers

InChI

InChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3/t12-,13+,14+,15+,16?,17-,18+,19-/m0/s1

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InChIKey

UROCTWOJYLMRHO-YWBNWVKVSA-N

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PubChem CID

163190483

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UROCTWOJYLMRHO-YWBNWVKVSA-N

(Q105277901)

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

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