(Q125031495)

English

cis-sabinyl acetate

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Statements

group of stereoisomers

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chemical compound

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544.485545908 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₆₄O₃

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canonical SMILES

O=C1OC(C=C1CCCC=CCCCCCCCCCCC2OC2CCCCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCCCCC1OC1CCCCCCCCCC/C=C\CCCC1=C[C@H](C)OC1=O

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Annona squamosa

1 reference

Annonaceous acetogenins from the seeds of Annona squamosa

Identifiers

InChI=1S/C36H64O3/c1-3-4-5-6-7-8-9-14-17-20-23-26-29-34-35(39-34)30-27-24-21-18-15-12-10-11-13-16-19-22-25-28-33-31-32(2)38-36(33)37/h16,19,31-32,34-35H,3-15,17-18,20-30H2,1-2H3/b19-16-/t32-,34?,35?/m0/s1

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GSFBWZVCGDJPKH-YTOVFMNRSA-N

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