21-Hydroxy-5beta-pregnane-3,11,20-trione (Q27105439)

21-Hydroxy-5beta-pregnane-3,11,20-trione (English)

5 October 2016

chemical formula

C₂₁H₃₀O₄

1 reference

21-Hydroxy-5beta-pregnane-3,11,20-trione (English)

5 October 2016

canonical SMILES

CC12CCC(=O)CC1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)C

1 reference

21-Hydroxy-5beta-pregnane-3,11,20-trione (English)

5 October 2016

isomeric SMILES

C[C@]12CCC(=O)CC1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4C(=O)CO)C

1 reference

21-Hydroxy-5beta-pregnane-3,11,20-trione (English)

InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3/t12?,14-,15-,16?,19+,20-,21-/m0/s1

5 October 2016

Identifiers

InChI

1 reference

21-Hydroxy-5beta-pregnane-3,11,20-trione (English)

ZDUVZJUTJOBJHS-CRQIWHQQSA-N

5 October 2016

InChIKey

2 references

21-Hydroxy-5beta-pregnane-3,11,20-trione (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(17xi)-21-Hydroxypregnane-3,11,20-trione (English)

5 October 2016

1 reference

21-Hydroxy-5beta-pregnane-3,11,20-trione (English)

5 October 2016

ChEBI ID

1298

mapping relation type

2 references

21-Hydroxy-5beta-pregnane-3,11,20-trione (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3/t12?,14-,15-,16?,19+,20-,21-/m0/s1

1 reference

1 reference

21-Hydroxy-5beta-pregnane-3,11,20-trione (English)