3beta-hydroxycholest-5-en-26-al (Q27157500)

SCHEMBL7557136 (English)

9 October 2016

chemical formula

C₂₇H₄₄O₂

1 reference

SCHEMBL7557136 (English)

9 October 2016

canonical SMILES

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

1 reference

SCHEMBL7557136 (English)

9 October 2016

isomeric SMILES

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

1 reference

SCHEMBL7557136 (English)

InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

SCHEMBL7557136 (English)

JUGXQEJPWDYOJV-CCDZVGGQSA-N

9 October 2016

InChIKey

2 references

SCHEMBL7557136 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta)-3-Hydroxycholest-5-en-26-al (English)

9 October 2016

2 references

SCHEMBL7557136 (English)

matched by identifier from

9 October 2016

InChIKey

JUGXQEJPWDYOJV-CCDZVGGQSA-N

Reaxys registry number

8008227

1 reference

3beta-hydroxycholest-5-en-26-al (English)

9 October 2016

ChEBI ID

84145

mapping relation type

2 references

3beta-hydroxycholest-5-en-26-al (English)