2-hydroxymethylethisterone (Q27261486)

UNII-57959QO1M0 (English)

14 October 2016

chemical formula

C₂₂H₃₀O₃

1 reference

UNII-57959QO1M0 (English)

14 October 2016

canonical SMILES

CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)C(CC34C)CO

1 reference

UNII-57959QO1M0 (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)C(C[C@]34C)CO

1 reference

UNII-57959QO1M0 (English)

InChI=1S/C22H30O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,14,16-18,23,25H,5-10,12-13H2,2-3H3/t14?,16-,17+,18+,20+,21+,22+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-57959QO1M0 (English)

JGJFMZZHCOKXHX-DUGPHZPDSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-57959QO1M0 (English)

14 October 2016

1 reference

UNII

57959QO1M0

2-hydroxymethylethisterone (English)

14 October 2016

1 reference

(17alpha)-17-Hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one (English)

14 October 2016

2 references

UNII-57959QO1M0 (English)

matched by identifier from

14 October 2016

InChIKey

JGJFMZZHCOKXHX-DUGPHZPDSA-N

ChEBI ID

190809

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C22H30O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,14,16-18,23,25H,5-10,12-13H2,2-3H3/t14?,16-,17+,18+,20+,21+,22+/m1/s1

1 reference

Global Substance Registration System

CHEMBL3544539 (English)

14 October 2016

1 reference

2 references

UNII

57959QO1M0

2-hydroxymethylethisterone (English)