(Q27098364)

5beta-Cholestan-3-one (English)

(5R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

4 October 2016

stereoisomer of

2 references

inferred from InChIKey

inferred from InChI

5alpha-cholestan-3-one

1 reference

inferred from InChI

chemical formula

C₂₇H₄₆O

1 reference

5beta-Cholestan-3-one (English)

19 November 2016

canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C

1 reference

5beta-Cholestan-3-one (English)

19 November 2016

isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C

1 reference

Cerebrosides from the Rhizomes ofGynura Japonica

5beta-Cholestan-3-one (English)

19 November 2016

1 reference

Alitta succinea

1 reference

Sex pheromones in marine polychaetes: steroids from ripe Nereis succinea

Neanthes succinea

1 reference

Sex pheromones in marine polychaetes: steroids from ripe Nereis succinea

Homo sapiens

1 reference

Oxysterols from human bile induce apoptosis of canine gallbladder epithelial cells in monolayer culture

Identifiers

InChI

InChI=1S/C27H46O/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/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1

1 reference

5beta-Cholestan-3-one (English)

19 November 2016

2 references

5beta-Cholestan-3-one (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

601-53-6

2 references

Global Substance Registration System

coprostanone (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=601-53-6

9 April 2021

1 reference

(5beta)-Cholestan-3-one (English)

19 November 2016

2 references

5beta-Cholestan-3-one (English)

19 November 2016

Reaxys registry number

3214762

1 reference

5beta-cholestan-3-one (English)

4 October 2016

ChEBI ID

16074

mapping relation type

2 references

CHEMBL69851 (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C27H46O/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/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1

1 reference

CHEMBL69851 (English)

19 November 2016

2 references

inferred from InChIKey

1 reference

1 reference

NSC number

119031

0 references

EC number

210-003-0

1 reference

Global Substance Registration System

coprostanone (English)

ECHA Substance Infocard ID

19 November 2016

100.009.094

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.009.094

27 December 2018

Human Metabolome Database ID

5-β-cholestan-3-one (English)

quotation

CAS no.: 601-53-6 (English)

HMDB0059604

0 references

HMDB0011182

2 references

inferred from InChIKey

2 references

Global Substance Registration System

coprostanone (English)

19 November 2016

https://www.swisslipids.org/#/downloads

0 references

0 references

2 references

6 November 2021