(Q27125748)

3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate (English)

6 October 2016

chemical formula

C₂₉H₄₇O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4(C)C(=O)[O-])O)C)C

1 reference

3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate (English)

6 October 2016

isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)[O-])O)C)C

1 reference

3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate (English)

InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/p-1/t19-,21-,22+,23+,24-,25+,27-,28-,29+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate (English)

UQFZKTIHSICSPG-DSHYQQBWSA-M

6 October 2016

InChIKey

2 references

3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate (English)

6 October 2016

1 reference

3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate (English)

6 October 2016

ChEBI ID

58387

mapping relation type

1 reference