(Q27136753)

CHEBI:68260 (English)

methyl 3-[(1R,5S,6S,8R,11R)-11-hydroxy-5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoate

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₄O₄

1 reference

CHEBI:68260 (English)

7 October 2016

canonical SMILES

CC1(C2CC3CC(C2(CC3=C)C=CC1=O)O)CCC(=O)OC

1 reference

CHEBI:68260 (English)

7 October 2016

isomeric SMILES

C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@]2(CC3=C)C=CC1=O)O)CCC(=O)OC

1 reference

CHEBI:68260 (English)

InChI=1S/C18H24O4/c1-11-10-18-7-4-14(19)17(2,6-5-16(21)22-3)13(18)8-12(11)9-15(18)20/h4,7,12-13,15,20H,1,5-6,8-10H2,2-3H3/t12-,13+,15-,17+,18+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:68260 (English)

SFPJDANZIPLSTD-ASZYTAPTSA-N

7 October 2016

InChIKey

2 references

CHEBI:68260 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl 3-[(1R,5S,6R,8R,11R)-11-hydroxy-5-methyl-9-methylene-4-oxotricyclo[6.2.2.0~1,6~]dodec-2-en-5-yl]propanoate (English)

7 October 2016

2 references

CHEBI:68260 (English)

matched by identifier from

7 October 2016

InChIKey

SFPJDANZIPLSTD-ASZYTAPTSA-N

ChEBI ID

68260

mapping relation type

2 references

13-hydroxyplatencinic acid methyl ester (English)