(Q106030203)

English

(3beta,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate

chemical compound

5alpha-androstane-3beta,17beta-diyl bis(hydrogen sulfate)

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No label defined

No description defined

Statements

type of chemical entity

0 references

3-Hydroxyandrostan-17-yl hydrogen sulfate

1 reference

based on heuristic

inferred from SMILES

372.19704512399994 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₃₂O₅S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC(O)CC1CCC1C2CCC2(C)C(OS(=O)(=O)O)CCC12

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@@H]12

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H32O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12-17,20H,3-11H2,1-2H3,(H,21,22,23)/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1

1 reference

ChEBI release 2021-03-01

KWYNDVHEQWYGIL-YSZCXEEOSA-N

1 reference

ChEBI release 2021-03-01

2 references

ChEBI release 2021-03-01

matched by identifier from

KWYNDVHEQWYGIL-YSZCXEEOSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C19H32O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12-17,20H,3-11H2,1-2H3,(H,21,22,23)/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1

UniChem compound ID

1 reference

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