(Q27148772)

11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (English)

8 October 2016

chemical formula

C₂₁H₃₀O₃

1 reference

11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (English)

8 October 2016

canonical SMILES

CC(=O)C1CCC2C1(C3C(O3)C4C2CCC5C4(CCC(=O)C5)C)C

1 reference

11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (English)

8 October 2016

isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@@H]3[C@@H](O3)[C@H]4[C@H]2CC[C@H]5[C@@]4(CCC(=O)C5)C)C

1 reference

11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (English)

InChI=1S/C21H30O3/c1-11(22)15-6-7-16-14-5-4-12-10-13(23)8-9-20(12,2)17(14)18-19(24-18)21(15,16)3/h12,14-19H,4-10H2,1-3H3/t12-,14+,15-,16+,17-,18+,19+,20+,21-/m1/s1

8 October 2016

Identifiers

InChI

1 reference

11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (English)

8 October 2016

2 references

11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (English)

8 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (English)

8 October 2016

2 references

11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (English)

8 October 2016

ChEBI ID

79650

mapping relation type

2 references

11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (English)

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H30O3/c1-11(22)15-6-7-16-14-5-4-12-10-13(23)8-9-20(12,2)17(14)18-19(24-18)21(15,16)3/h12,14-19H,4-10H2,1-3H3/t12-,14+,15-,16+,17-,18+,19+,20+,21-/m1/s1

1 reference

1 reference

DSSTOX compound identifier

0 references

0 references

1 reference

1 reference

11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (English)