(Q105310068)

English

(10'E)-12',14',15'-tris(acetyloxy)-3'-hydroxy-9'-(hydroxymethyl)-4',13'-dimethyl-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecane]-8',10'-dien-2'-yl acetate

group of stereoisomers with the chemical formula C₂₈H₃₆O₁₃

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instance of

group of stereoisomers

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1 reference

580.215591212 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₁₃

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canonical SMILES

O=C(OC1C=CC(=CC2OC(=O)C(C)C2(O)C(OC(=O)C)C3C4(OC4)CC(OC(=O)C)C(OC(=O)C)C13C)CO)C

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isomeric SMILES

CC(=O)OC1CC2(CO2)C2C(OC(C)=O)C3(O)C(C=C(CO)/C=C/C(OC(C)=O)C2(C)C1OC(C)=O)OC(=O)C3C

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C28H36O13/c1-13-25(34)41-21-9-18(11-29)7-8-20(38-15(3)31)26(6)22(24(28(13,21)35)40-17(5)33)27(12-36-27)10-19(37-14(2)30)23(26)39-16(4)32/h7-9,13,19-24,29,35H,10-12H2,1-6H3/b8-7+,18-9?

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InChIKey

WPMYQORREBMMQN-XDTRNCTRSA-N

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(Q105310068)

(10'E)-12',14',15'-tris(acetyloxy)-3'-hydroxy-9'-(hydroxymethyl)-4',13'-dimethyl-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecane]-8',10'-dien-2'-yl acetate

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