(Q27266607)

UNII-77U6C4OLOR (English)

14 October 2016

stereoisomer of

2-0alpha-hydroxycortisol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₅

1 reference

UNII-77U6C4OLOR (English)

14 October 2016

canonical SMILES

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(CO)O)O)C)O

1 reference

UNII-77U6C4OLOR (English)

14 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@@H](CO)O)O)C)O

1 reference

UNII-77U6C4OLOR (English)

InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17+,18+,19-,20-,21-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-77U6C4OLOR (English)

14 October 2016

2 references

UNII-77U6C4OLOR (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

116-58-5

1 reference

Global Substance Registration System

UNII

77U6C4OLOR

(11β,20R)-11,17,20,21-tetrahydroxypregn-4-en-3-one (English)

14 October 2016

1 reference

4-Pregnene-11β,17α,20β,21-tetrol-3-one (English)

14 October 2016

2 references

UNII-77U6C4OLOR (English)

14 October 2016

ChEBI ID

139311

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17+,18+,19-,20-,21-/m0/s1

1 reference

1 reference

UNII

77U6C4OLOR

2 references

Global Substance Registration System

UNII

77U6C4OLOR

(11β,20R)-11,17,20,21-tetrahydroxypregn-4-en-3-one (English)

14 October 2016