3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate (Q27148692)

3-ethoxyandrosta-3,5-dien-17|A-ol propanoate (English)

8 October 2016

chemical formula

C₂₄H₃₆O₃

1 reference

3-ethoxyandrosta-3,5-dien-17|A-ol propanoate (English)

8 October 2016

canonical SMILES

CCC(=O)OC1CCC2C1(CCC3C2CC=C4C3(CCC(=C4)OCC)C)C

1 reference

3-ethoxyandrosta-3,5-dien-17|A-ol propanoate (English)

8 October 2016

isomeric SMILES

CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)OCC)C)C

1 reference

3-ethoxyandrosta-3,5-dien-17|A-ol propanoate (English)

InChI=1S/C24H36O3/c1-5-22(25)27-21-10-9-19-18-8-7-16-15-17(26-6-2)11-13-23(16,3)20(18)12-14-24(19,21)4/h7,15,18-21H,5-6,8-14H2,1-4H3/t18-,19-,20-,21-,23-,24-/m0/s1

8 October 2016

Identifiers

InChI

1 reference

3-ethoxyandrosta-3,5-dien-17|A-ol propanoate (English)

NULCEDVSYYAIBD-CGRIZKAYSA-N

8 October 2016

InChIKey

2 references

3-ethoxyandrosta-3,5-dien-17|A-ol propanoate (English)

8 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate (English)

8 October 2016

2 references

3-ethoxyandrosta-3,5-dien-17|A-ol propanoate (English)

matched by identifier from

8 October 2016

InChIKey

NULCEDVSYYAIBD-CGRIZKAYSA-N

ChEBI ID

79577

mapping relation type

2 references

3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C24H36O3/c1-5-22(25)27-21-10-9-19-18-8-7-16-15-17(26-6-2)11-13-23(16,3)20(18)12-14-24(19,21)4/h7,15,18-21H,5-6,8-14H2,1-4H3/t18-,19-,20-,21-,23-,24-/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

NULCEDVSYYAIBD-CGRIZKAYSA-N

DSSTOX compound identifier

0 references

0 references

1 reference

3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate (English)