amelometasone (Q27289488)

UNII-T01B0RCE7T (English)

18 November 2016

chemical formula

C₂₆H₃₅FO₆

1 reference

UNII-T01B0RCE7T (English)

18 November 2016

canonical SMILES

CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)COC

1 reference

UNII-T01B0RCE7T (English)

18 November 2016

isomeric SMILES

CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COC

1 reference

UNII-T01B0RCE7T (English)

InChI=1S/C26H35FO6/c1-6-22(31)33-26(21(30)14-32-5)15(2)11-19-18-8-7-16-12-17(28)9-10-23(16,3)25(18,27)20(29)13-24(19,26)4/h9-10,12,15,18-20,29H,6-8,11,13-14H2,1-5H3/t15-,18-,19-,20-,23-,24-,25-,26-/m0/s1

18 November 2016

Identifiers

InChI

1 reference

UNII-T01B0RCE7T (English)

18 November 2016

2 references

UNII-T01B0RCE7T (English)

Global Substance Registration System

18 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

123013-22-9

2 references

stated in

UNII

T01B0RCE7T

amelometasone (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=123013-22-9

10 April 2021

1 reference

Amelometasone (JAN) (English)

14 October 2016

2 references

UNII-T01B0RCE7T (English)

18 November 2016

ChEBI ID

31200

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C26H35FO6/c1-6-22(31)33-26(21(30)14-32-5)15(2)11-19-18-8-7-16-12-17(28)9-10-23(16,3)25(18,27)20(29)13-24(19,26)4/h9-10,12,15,18-20,29H,6-8,11,13-14H2,1-5H3/t15-,18-,19-,20-,23-,24-,25-,26-/m0/s1

SureChEMBL ID

SCHEMBL140206

2 references

based on heuristic

inferred from InChIKey

DSSTOX compound identifier

1 reference

0 references

0 references

2 references

Global Substance Registration System

UNII

T01B0RCE7T

amelometasone (English)

18 November 2016