(Q104944975)

English

(1S,2R,5R,6S,10S,13S)-5,13-dihydroxy-2,6,10-trimethyl-11-oxo-8-oxatetracyclo[7.3.1.0¹,⁵.0⁶,¹⁰]tridecan-9-yl benzoate

group of stereoisomers with the chemical formula C₂₂H₂₆O₆

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Statements

group of stereoisomers

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chemical compound

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386.17293855199995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₂₆O₆

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canonical SMILES

O=C(OC12OCC3(C)C4(O)CCC(C)C4(CC(=O)C13C)C2O)C=5C=CC=CC5

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isomeric SMILES

C[C@@H]1CC[C@]2(O)[C@@]13CC(=O)[C@@]1(C)C(OC(=O)c4ccccc4)(OC[C@]12C)[C@H]3O

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Identifiers

InChI=1S/C22H26O6/c1-13-9-10-21(26)18(2)12-27-22(28-16(24)14-7-5-4-6-8-14)17(25)20(13,21)11-15(23)19(18,22)3/h4-8,13,17,25-26H,9-12H2,1-3H3/t13-,17+,18-,19-,20+,21-,22?/m1/s1

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BRRTVYWNYBLCAX-JRWHWGBFSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BRRTVYWNYBLCAX-JRWHWGBFSA-N

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