(Q105022993)

English

(2S,3'R,8'R,12'E,18'E,20'Z,24'R,25'S)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',17',22'-trione

group of stereoisomers with the chemical formula C₂₇H₃₂O₈

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instance of

group of stereoisomers

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subclass of

trichothecane sesquiterpenoid

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inferred from

trichothecane sesquiterpenoid

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484.20971798399995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₃₂O₈

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canonical SMILES

O=C1OCCC(=CC(=O)OCC23CCC(=CC3OC4CC(OC(=O)C=CC=C1)C2(C)C54OC5)C)C

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isomeric SMILES

CC1=C[C@H]2OC3C[C@H]4OC(=O)/C=C\C=C\C(=O)OCC/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1

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Identifiers

InChI

InChI=1S/C27H32O8/c1-17-8-10-26-15-32-24(30)13-18(2)9-11-31-22(28)6-4-5-7-23(29)35-19-14-21(34-20(26)12-17)27(16-33-27)25(19,26)3/h4-7,12-13,19-21H,8-11,14-16H2,1-3H3/b6-4+,7-5-,18-13+/t19-,20-,21?,25-,26-,27+/m1/s1

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InChIKey

GXCGYHWSYNQVHU-ILHCDVDESA-N

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PubChem CID

163192970

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based on heuristic

inferred from InChIKey

(Q105022993)

(2S,3'R,8'R,12'E,18'E,20'Z,24'R,25'S)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',17',22'-trione

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