bolmantalate (Q15633981)

BOLMANTALATE (English)

14 October 2016

chemical formula

C₂₉H₄₀O₃

1 reference

BOLMANTALATE (English)

14 October 2016

canonical SMILES

CC12CCC3C(C1CCC2OC(=O)C45CC6CC(C4)CC(C6)C5)CCC7=CC(=O)CCC37

1 reference

BOLMANTALATE (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C45CC6CC(C4)CC(C6)C5)CCC7=CC(=O)CC[C@H]37

1 reference

BOLMANTALATE (English)

InChI=1S/C29H40O3/c1-28-9-8-23-22-5-3-21(30)13-20(22)2-4-24(23)25(28)6-7-26(28)32-27(31)29-14-17-10-18(15-29)12-19(11-17)16-29/h13,17-19,22-26H,2-12,14-16H2,1H3/t17?,18?,19?,22-,23+,24+,25-,26-,28-,29?/m0/s1

14 October 2016

Commons category

Bolmantalate

0 references

Identifiers

InChI

1 reference

BOLMANTALATE (English)

14 October 2016

1 reference

Global Substance Registration System

BOLMANTALATE (English)

14 October 2016

2 references

UNII

7IKT9C4TYI

bolmantalate (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=1491-81-2

9 April 2021

1 reference

bolmantalate (English)

14 October 2016

2 references

BOLMANTALATE (English)

14 October 2016

ChEBI ID

177488

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C29H40O3/c1-28-9-8-23-22-5-3-21(30)13-20(22)2-4-24(23)25(28)6-7-26(28)32-27(31)29-14-17-10-18(15-29)12-19(11-17)16-29/h13,17-19,22-26H,2-12,14-16H2,1H3/t17?,18?,19?,22-,23+,24+,25-,26-,28-,29?/m0/s1

1 reference

BOLMANTALATE (English)

14 October 2016

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

7IKT9C4TYI

bolmantalate (English)

14 October 2016