doisynolic acid (Q27275385)

trans-Doisynolic acid (English)

14 October 2016

chemical formula

C₁₈H₂₄O₃

1 reference

trans-Doisynolic acid (English)

14 October 2016

canonical SMILES

CCC1C2CCC3=C(C2CCC1(C)C(=O)O)C=CC(=C3)O

1 reference

trans-Doisynolic acid (English)

14 October 2016

isomeric SMILES

CC[C@H]1[C@@H]2CCC3=C([C@H]2CC[C@]1(C)C(=O)O)C=CC(=C3)O

1 reference

trans-Doisynolic acid (English)

InChI=1S/C18H24O3/c1-3-16-15-6-4-11-10-12(19)5-7-13(11)14(15)8-9-18(16,2)17(20)21/h5,7,10,14-16,19H,3-4,6,8-9H2,1-2H3,(H,20,21)/t14-,15-,16+,18+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

trans-Doisynolic acid (English)

GEGYYIFBFKSCPK-CBZIJGRNSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

trans-Doisynolic acid (English)

14 October 2016

2 references

UNII

CBJ6A3D19C

doisynolic acid (English)

GEGYYIFBFKSCPK-CBZIJGRNSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=482-49-5

1 reference

3-Hydroxy-16,17-secoestra-1,3,5(10)-trien-17-oic acid (English)

14 October 2016

1 reference

DSSTOX compound identifier

trans-Doisynolic acid (English)

14 October 2016

1 reference

0 references

0 references

1 reference

Global Substance Registration System

UNII

CBJ6A3D19C

doisynolic acid (English)