(Q105153906)

English

3-{2-[(4E,6E)-1-(acetyloxy)-6,10-dimethylundeca-2,4,6,9-tetraen-2-yl]-1,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl}propyl decanoate

group of stereoisomers with the chemical formula C₄₂H₆₆O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

682.4808544519999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₆O₇

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canonical SMILES

O=CC(=C1CCC(O)(C)C2(CCC(C(=CC=CC(=CCC=C(C)C)C)COC(=O)C)C2O)C1CCCOC(=O)CCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCC(=O)OCCCC1C(=C(C)C=O)CCC(C)(O)C12CCC(C(=C/C=C/C(C)=C/CC=C(C)C)COC(C)=O)C2O

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C42H66O7/c1-8-9-10-11-12-13-14-23-39(45)48-28-17-22-38-36(33(5)29-43)24-26-41(7,47)42(38)27-25-37(40(42)46)35(30-49-34(6)44)21-16-20-32(4)19-15-18-31(2)3/h16,18-21,29,37-38,40,46-47H,8-15,17,22-28,30H2,1-7H3/b20-16+,32-19+,35-21?,36-33?

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InChIKey

LMEBPARQXLCYCI-BZUADSCISA-N

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(Q105153906)

3-{2-[(4E,6E)-1-(acetyloxy)-6,10-dimethylundeca-2,4,6,9-tetraen-2-yl]-1,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl}propyl decanoate

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