(Q105306484)

English

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4E)-5-{7-hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-en-9-yl}-2-methylpenta-2,4-dienoate

group of stereoisomers with the chemical formula C₂₆H₃₆O₁₀

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instance of

group of stereoisomers

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subclass of

sphenolobane diterpenoid

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inferred from

sphenolobane diterpenoid

mass

508.230847352 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₁₀

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C(=CC=CC2(OC(=O)C34CC=C(C)CCC4(O)C2CC3)C)C

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isomeric SMILES

CC1=CCC23CCC(C(C)(/C=C/C=C(C)C(=O)OC4OC(CO)C(O)C(O)C4O)OC2=O)C3(O)CC1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H36O10/c1-14-6-10-25-11-8-17(26(25,33)12-7-14)24(3,36-23(25)32)9-4-5-15(2)21(31)35-22-20(30)19(29)18(28)16(13-27)34-22/h4-6,9,16-20,22,27-30,33H,7-8,10-13H2,1-3H3/b9-4+,15-5?

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InChIKey

WITGZKZTBTXECL-CQCDAKGNSA-N

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(Q105306484)

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4E)-5-{7-hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-en-9-yl}-2-methylpenta-2,4-dienoate

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