(Q27131438)

15-ketocholestane (English)

3-Hydroxycholestan-15-one

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₆O₂

1 reference

15-ketocholestane (English)

7 October 2016

canonical SMILES

CC(C)CCCC(C)C1CC(=O)C2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

1 reference

15-ketocholestane (English)

7 October 2016

isomeric SMILES

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

1 reference

15-ketocholestane (English)

InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-23,25,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23-,25-,26+,27-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

15-ketocholestane (English)

BHOGPBCKBGSAIM-HBOTYGMJSA-N

7 October 2016

InChIKey

2 references

15-ketocholestane (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta,5alpha)-3-Hydroxycholestan-15-one (English)

7 October 2016

2 references

15-ketocholestane (English)

matched by identifier from

7 October 2016

InChIKey

BHOGPBCKBGSAIM-HBOTYGMJSA-N

Reaxys registry number

3161230

1 reference

3beta-hydroxy-5alpha-cholestan-15-one (English)

7 October 2016

ChEBI ID

61835

mapping relation type

2 references

3beta-hydroxy-5alpha-cholestan-15-one (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-23,25,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23-,25-,26+,27-/m1/s1

SureChEMBL ID

SCHEMBL3191737

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BHOGPBCKBGSAIM-HBOTYGMJSA-N

1 reference

0 references

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

153527