(Q27165642)

MEGxp0_001030 (English)

9 October 2016

chemical formula

C₂₀H₂₈O₃

1 reference

MEGxp0_001030 (English)

9 October 2016

canonical SMILES

CC1=CCC2C(C1CCC3=COC=C3)(CCCC2(C)C(=O)O)C

1 reference

MEGxp0_001030 (English)

9 October 2016

isomeric SMILES

CC1=CCC2[C@@]([C@H]1CCC3=COC=C3)(CCC[C@]2(C)C(=O)O)C

1 reference

MEGxp0_001030 (English)

InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h5,9,12-13,16-17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t16-,17?,19+,20-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

MEGxp0_001030 (English)

IZRLEXPLVWDKBC-NGWLPYQTSA-N

9 October 2016

InChIKey

2 references

MEGxp0_001030 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S,4aR,5S)-5-[2-(3-Furyl)ethyl]-1,4a,6-trimethyl-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalenecarboxylic acid (English)

9 October 2016

1 reference

MEGxp0_001030 (English)

9 October 2016

ChEBI ID

93887

mapping relation type

1 reference