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CAS 28594-00-5

:

Stigmasta-5,22,25-trien-3-ol, 3-acetate, (3β,22E,24S)-

Description:
Stigmasta-5,22,25-trien-3-ol, 3-acetate, (3β,22E,24S)-, with CAS number 28594-00-5, is a steroidal compound characterized by its complex structure, which includes a steroid backbone with specific functional groups. This compound features a hydroxyl group (-OH) at the 3-position and an acetate group (-OCOCH3) at the same position, indicating it is an acetate derivative of a sterol. The presence of double bonds in the steroid framework, particularly at the 5, 22, and 25 positions, contributes to its unique chemical properties and reactivity. The stereochemistry, denoted by the (3β,22E,24S) configuration, indicates the specific spatial arrangement of atoms, which is crucial for its biological activity. This compound is often studied for its potential applications in biochemistry and pharmacology, particularly in relation to its role in plant sterols and their effects on human health. Its solubility, stability, and interactions with biological systems are influenced by its structural characteristics, making it a subject of interest in various scientific research fields.
Formula:C31H48O2
InChI:InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChI key:InChIKey=MOEVEIGHSLNJAI-RRXMTBKISA-N
SMILES:C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](/C=C/[C@@H](C(C)=C)CC)C)(CC4)[H])[H])(CC=C1C[C@@H](OC(C)=O)CC2)[H])[H]
Synonyms:
  • (24S)-Ethylcholesta-5,22,25-trien-3b-yl acetate
  • 22-Dehydroclerosteryl acetate
  • Stigmasta-5,22,25-trien-3-ol, 3-acetate, (3β,22E,24S)-
  • Stigmasta-5,22,25-trien-3-ol, acetate, (3β,22E,24S)-
  • Stigmasta-5,22,25-trien-3b-ol, acetate, (24S)- (8CI)
  • Stigmasta-5,22,25-trien-3β-ol, acetate, (24S)-
  • (24S)-Ethylcholesta-5,22,25-trien-3beta-yl acetate
  • 22-Dehydroclerosteryl
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