(Q27132907)

5-Cholesten-3-one (English)

7 October 2016

chemical formula

C₂₇H₄₄O

1 reference

5-Cholesten-3-one (English)

7 October 2016

canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4)C)C

1 reference

5-Cholesten-3-one (English)

7 October 2016

isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C

1 reference

5-Cholesten-3-one (English)

InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,22-25H,6-8,10-17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

5-Cholesten-3-one (English)

7 October 2016

2 references

5-Cholesten-3-one (English)

7 October 2016

ChEBI release 2020-09-01

2 references

cholest-5-en-3-one (English)

7 October 2016

https://commonchemistry.cas.org/detail?cas_rn=601-54-7

10 April 2021

1 reference

Cholest-5-en-3-one (English)

7 October 2016

2 references

5-Cholesten-3-one (English)

7 October 2016

Reaxys registry number

2224118

1 reference

cholest-5-en-3-one (English)

7 October 2016

ChEBI ID

63906

mapping relation type

2 references

cholest-5-en-3-one (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,22-25H,6-8,10-17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

1 reference

CHOLEST-5-EN-3-ONE (English)

7 October 2016

2 references

inferred from InChIKey

splash10-014i-0479000000-293653cef05afd95a96e

1 reference

0 references

DSSTox substance ID

DTXSID40208841

2 references

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

DSSTOX compound identifier

0 references

0 references

210-004-6

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.009.095

27 December 2018

ECHA Substance Infocard ID

Cholest-5-en-3-one (English)

quotation

CAS no.: 601-54-7 (English)

100.009.095

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.009.095

27 December 2018

Cholest-5-en-3-one (English)

quotation

CAS no.: 601-54-7 (English)

UNII

58D45D7T5H

1 reference