14-hydroxyplatensic acid methyl ester (Q27136752)

CHEBI:68259 (English)

Hydroxyplatensic acid methyl ester

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₄O₅

1 reference

CHEBI:68259 (English)

7 October 2016

canonical SMILES

CC1(C2C3CC4CC2(C=CC1=O)C(C4(O3)C)O)CCC(=O)OC

1 reference

CHEBI:68259 (English)

7 October 2016

isomeric SMILES

C[C@@]1([C@@H]2[C@@H]3C[C@@H]4C[C@@]2(C=CC1=O)[C@H]([C@@]4(O3)C)O)CCC(=O)OC

1 reference

CHEBI:68259 (English)

InChI=1S/C18H24O5/c1-16(6-5-13(20)22-3)12(19)4-7-18-9-10-8-11(14(16)18)23-17(10,2)15(18)21/h4,7,10-11,14-15,21H,5-6,8-9H2,1-3H3/t10-,11+,14+,15+,16-,17-,18-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:68259 (English)

FBBBYTFYYNYGMH-MKJSHFIQSA-N

7 October 2016

InChIKey

2 references

CHEBI:68259 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl 3-[(1S,5S,6R,7S,9R,10S,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl]propanoate (English)

7 October 2016

2 references

CHEBI:68259 (English)

matched by identifier from

7 October 2016

InChIKey

FBBBYTFYYNYGMH-MKJSHFIQSA-N

ChEBI ID

68259

mapping relation type

2 references

14-hydroxyplatensic acid methyl ester (English)