mytatrienediol (Q27116298)

Mytatrienediol (English)

6 October 2016

chemical formula

C₂₀H₂₈O₃

1 reference

Mytatrienediol (English)

6 October 2016

canonical SMILES

CC12CCC3C(C1CC(C2O)(C)O)CCC4=C3C=CC(=C4)OC

1 reference

Mytatrienediol (English)

6 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@]([C@@H]2O)(C)O)CCC4=C3C=CC(=C4)OC

1 reference

Mytatrienediol (English)

InChI=1S/C20H28O3/c1-19-9-8-15-14-7-5-13(23-3)10-12(14)4-6-16(15)17(19)11-20(2,22)18(19)21/h5,7,10,15-18,21-22H,4,6,8-9,11H2,1-3H3/t15-,16-,17+,18-,19+,20+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

Mytatrienediol (English)

6 October 2016

2 references

Mytatrienediol (English)

6 October 2016

stated in

ChEBI release 2020-09-01

2 references

https://commonchemistry.cas.org/detail?cas_rn=5108-94-1

mytatrienediol (English)

6 October 2016

7 April 2021

1 reference

Anvene (English)

6 October 2016

2 references

Mytatrienediol (English)

6 October 2016

ChEBI ID

34859

mapping relation type

2 references

mytatrienediol (English)

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H28O3/c1-19-9-8-15-14-7-5-13(23-3)10-12(14)4-6-16(15)17(19)11-20(2,22)18(19)21/h5,7,10,15-18,21-22H,4,6,8-9,11H2,1-3H3/t15-,16-,17+,18-,19+,20+/m1/s1

SureChEMBL ID

SCHEMBL309350

2 references

based on heuristic

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

0 references

0 references

2 references

Global Substance Registration System

UNII

1G3TKH1O14

MYTATRIENEDIOL (English)

6 October 2016

1 reference

mytatrienediol (English)