cardanolide (Q5038245)

cardanolide (English)

6 October 2016

chemical formula

C₂₃H₃₆O₂

1 reference

cardanolide (English)

6 October 2016

canonical SMILES

CC12CCCCC1CCC3C2CCC4(C3CCC4C5CC(=O)OC5)C

1 reference

cardanolide (English)

6 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@H]1CC[C@@H]2[C@H]4CC(=O)OC4)CCC5[C@@]3(CCCC5)C

1 reference

cardanolide (English)

InChI=1S/C23H36O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h15-20H,3-14H2,1-2H3/t15-,16?,17-,18+,19+,20-,22-,23+/m0/s1

6 October 2016

Identifiers

InChI

1 reference

cardanolide (English)

6 October 2016

2 references

cardanolide (English)

imported from Wikimedia project

6 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

4427-84-3

2 references

6 April 2021

https://commonchemistry.cas.org/detail?cas_rn=4427-84-3

1 reference

Cardanolide (English)

6 October 2016

2 references

cardanolide (English)

6 October 2016

ChEBI ID

35543

mapping relation type

2 references

cardanolide (English)

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H36O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h15-20H,3-14H2,1-2H3/t15-,16?,17-,18+,19+,20-,22-,23+/m0/s1

SureChEMBL ID

SCHEMBL1079049

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

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download