cadiyenol (Q27133989)

CHEBI:65538 (English)

7 October 2016

chemical formula

C₂₄H₃₆O₆

1 reference

CHEBI:65538 (English)

7 October 2016

canonical SMILES

CCCCCC(C(C(C=CC#CC#CC(C=C)O)OC)OCCCCC(=O)OC)O

1 reference

CHEBI:65538 (English)

7 October 2016

isomeric SMILES

CCCCCC(C(C(/C=C/C#CC#CC(C=C)O)OC)OCCCCC(=O)OC)O

1 reference

CHEBI:65538 (English)

InChI=1S/C24H36O6/c1-5-7-10-16-21(26)24(30-19-14-13-18-23(27)29-4)22(28-3)17-12-9-8-11-15-20(25)6-2/h6,12,17,20-22,24-26H,2,5,7,10,13-14,16,18-19H2,1,3-4H3/b17-12+

7 October 2016

Identifiers

InChI

1 reference

CHEBI:65538 (English)

LCCGCXCFZHBCJT-SFQUDFHCSA-N

7 October 2016

InChIKey

2 references

CHEBI:65538 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl 5-{[(9E)-6,15-dihydroxy-8-methoxy-9,16-heptadecadiene-11,13-diyn-7-yl]oxy}pentanoate (English)

7 October 2016

2 references

CHEBI:65538 (English)

matched by identifier from

7 October 2016

InChIKey

LCCGCXCFZHBCJT-SFQUDFHCSA-N

Reaxys registry number

11222769

1 reference

cadiyenol (English)

7 October 2016

mapping relation type

2 references

cadiyenol (English)