(Q27124943)

CHEBI:57782 (English)

6 October 2016

chemical formula

C₂₁H₂₉O₈S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COS(=O)(=O)[O-])O)C)O

1 reference

CHEBI:57782 (English)

6 October 2016

isomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COS(=O)(=O)[O-])O)C)O

1 reference

CHEBI:57782 (English)

InChI=1S/C21H30O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H,26,27,28)/p-1/t14-,15-,16-,18+,19-,20-,21-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:57782 (English)

JOVLCJDINAUYJW-VWUMJDOOSA-M

6 October 2016

InChIKey

2 references

CHEBI:57782 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl sulfate (English)

6 October 2016

2 references

CHEBI:57782 (English)

matched by identifier from

6 October 2016

InChIKey

JOVLCJDINAUYJW-VWUMJDOOSA-M

Reaxys registry number

5182572

1 reference

cortisol 21-sulfate(1-) (English)

6 October 2016

ChEBI ID

57782

mapping relation type

2 references

cortisol 21-sulfate(1-) (English)