(3R,6S)-6-hydroxy-3,7-dimethyloctanoate (Q27133130)

(3R,6S)-6-hydroxy-3,7-dimethyloctanoate (English)

(3S,6R)-6-hydroxy-3,7-dimethyloctanoate

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₀H₁₉O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)C(CCC(C)CC(=O)[O-])O

1 reference

(3R,6S)-6-hydroxy-3,7-dimethyloctanoate (English)

7 October 2016

isomeric SMILES

C[C@H](CC[C@@H](C(C)C)O)CC(=O)[O-]

1 reference

(3R,6S)-6-hydroxy-3,7-dimethyloctanoate (English)

InChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)/p-1/t8-,9+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

(3R,6S)-6-hydroxy-3,7-dimethyloctanoate (English)

IQBGVZDRJBTLDN-BDAKNGLRSA-M

7 October 2016

InChIKey

2 references

(3R,6S)-6-hydroxy-3,7-dimethyloctanoate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3R,6S)-6-Hydroxy-3,7-dimethyloctanoate (English)

7 October 2016

1 reference

(3R,6S)-6-hydroxy-3,7-dimethyloctanoate (English)

7 October 2016

ChEBI ID

64221

mapping relation type

1 reference