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CAS 31316-20-8

:

9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)-

Description:
9,10-Secocholesta-5,7,10(19)-trien-3-ol butanoate, also known by its CAS number 31316-20-8, is a chemical compound that belongs to the class of sterols and is characterized by its complex steroidal structure. This substance features a secosteroid framework, which indicates a modification of the typical steroid structure, specifically involving the cleavage of one of the rings. The presence of multiple double bonds in its triene configuration contributes to its reactivity and potential biological activity. The butanoate moiety suggests that it is an ester, which can influence its solubility and interaction with biological membranes. This compound may exhibit various pharmacological properties, potentially acting as a precursor or intermediate in the biosynthesis of other biologically relevant molecules. Its specific stereochemistry, denoted by the (3β,5Z,7E) notation, indicates the spatial arrangement of atoms, which is crucial for its biological function and interaction with receptors. Overall, this compound is of interest in biochemical research, particularly in the study of steroid metabolism and its implications in health and disease.
Formula:C31H50O2
InChI:InChI=1S/C31H50O2/c1-7-10-30(32)33-27-17-14-23(4)26(21-27)16-15-25-13-9-20-31(6)28(18-19-29(25)31)24(5)12-8-11-22(2)3/h15-16,22,24,27-29H,4,7-14,17-21H2,1-3,5-6H3/b25-15+,26-16-/t24-,27+,28-,29+,31-/m1/s1
InChI key:InChIKey=QUUDUVNKJWQDFG-BXWGOXEHSA-N
SMILES:C[C@@]12[C@](\C(=C\C=C/3\C[C@@H](OC(CCC)=O)CCC3=C)\CCC1)(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]
Synonyms:
  • (3R,5Z,7E,17xi)-9,10-secocholesta-5,7,10-trien-3-yl butanoate
  • (3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-yl butyrate
  • 9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3beta,5Z,7E)-
  • 9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)-
  • Cholecalciferol, butyrate
  • Vitamin D3 butyrate
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