androstenediol 3-tetrahydropyranyl ether (Q27896391)

Androst-5-ene-3beta,17beta-diol 3-tetrahydropyranyl ether (English)

21 November 2016

canonical SMILES

CC12CCC3C(C1CCC2O)CC=C4C3(CCC(C4)OC5CCCCO5)C

1 reference

Androst-5-ene-3beta,17beta-diol 3-tetrahydropyranyl ether (English)

21 November 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)OC5CCCCO5)C

1 reference

Androst-5-ene-3beta,17beta-diol 3-tetrahydropyranyl ether (English)

InChI=1S/C24H38O3/c1-23-12-10-17(27-22-5-3-4-14-26-22)15-16(23)6-7-18-19-8-9-21(25)24(19,2)13-11-20(18)23/h6,17-22,25H,3-5,7-15H2,1-2H3/t17-,18-,19-,20-,21-,22?,23-,24-/m0/s1

21 November 2016

Identifiers

InChI

1 reference

Androst-5-ene-3beta,17beta-diol 3-tetrahydropyranyl ether (English)

OEECLXWCHUIMAU-QDWRAYMQSA-N

21 November 2016

InChIKey

2 references

Androst-5-ene-3beta,17beta-diol 3-tetrahydropyranyl ether (English)

Global Substance Registration System

21 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

5419-51-2

1 reference

stated in

UNII

I0ZPX26G90

androstenediol 3-tetrahydropyranyl ether (English)

21 November 2016

1 reference

3beta-[(Tetrahydro-2H-pyran-2-yl)oxy]androst-5-en-17beta-ol (English)

21 November 2016

2 references

Androst-5-ene-3beta,17beta-diol 3-tetrahydropyranyl ether (English)

matched by identifier from

21 November 2016

InChIKey

OEECLXWCHUIMAU-QDWRAYMQSA-N

ChEBI ID

79847

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C24H38O3/c1-23-12-10-17(27-22-5-3-4-14-26-22)15-16(23)6-7-18-19-8-9-21(25)24(19,2)13-11-20(18)23/h6,17-22,25H,3-5,7-15H2,1-2H3/t17-,18-,19-,20-,21-,22?,23-,24-/m0/s1

1 reference

0 references

DSSTOX compound identifier

0 references

0 references

2 references

Global Substance Registration System

UNII

I0ZPX26G90

androstenediol 3-tetrahydropyranyl ether (English)