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Substance Name: 3-Hydroxy-5-oxo-5,6-secocholestan-6-al
RN: 81811-27-0
InChIKey: YAKOGNWFSAFQBB-NPOPOJHFSA-N

Molecular Formula

  • C27-H46-O3

Molecular Weight

  • 418.6574
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxy-5-oxo-5,6-secocholestan-6-al

Synonyms

  • 3-Hosca
  • 3-Hydroxy-1-oxo-5,6-secocholestan-6-al (3alpha,10alpha)-

Systematic Name

  • 5,6-Secocholestan-6-al, 3-hydroxy-1-oxo-, (3alpha,10alpha)-

Registry Numbers

CAS Registry Number

  • 81811-27-0

System Generated Number

  • 0081811270

Structure Descriptors

InChI

1S/C27H46O3/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h16,18-24,29H,6-15,17H2,1-5H3/t19-,20-,21?,22-,23+,24?,26-,27+/m1/s1

InChIKey

YAKOGNWFSAFQBB-NPOPOJHFSA-N

Smiles

[C@@]1(C(=O)C[C@@H](CC1)O)(C)C1C([C@H]2[C@@]([C@H](CC2)[C@@H](CCCC(C)C)C)(CC1)C)CC=O