cortisol 21-sulfate

Chemical Formula:

C₂₁H₂₉O₈S

Molecular Weight:

441.515 Daltons

Monoisotopic Mass:

442.1661386298 Daltons

SMILES:

CC12(CCC(C=C1CCC3(C2C(CC4(C3CCC4(C(COS(=O)([O-])=O)=O)O)C)O))=O)

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

InChIKey:

JOVLCJDINAUYJW-OXPLYMOZSA-M

Databases

MetaCyc: CPD-517

ChEBI: 16473 57782

PubChem (CID): 25202195 21117695

KEGG: C02822

Seed: cpd01825

HMDB: HMDB62779

MetaNetX: MNXM4532