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CAS 42975-12-2

:

Stigmasta-7,24-dien-26-oic acid, 2,3,14,20,22-pentahydroxy-6,12-dioxo-, δ-lactone, (2β,3β,5β,22R)-

Description:
Stigmasta-7,24-dien-26-oic acid, 2,3,14,20,22-pentahydroxy-6,12-dioxo-, δ-lactone, with the CAS number 42975-12-2, is a complex organic compound characterized by its unique structural features, including multiple hydroxyl groups and a lactone functional group. This compound is derived from the stigmastane steroid family, which is known for its presence in various plant species, particularly in phytosterols. The presence of multiple hydroxyl groups contributes to its potential solubility in polar solvents and may influence its biological activity, including antioxidant properties. The lactone structure suggests that it may exhibit cyclic behavior, which can affect its reactivity and stability. Additionally, the specific stereochemistry indicated by the (2β,3β,5β,22R) configuration plays a crucial role in determining the compound's interactions with biological systems. Overall, this compound may have applications in pharmacology and biochemistry, particularly in studies related to plant-derived substances and their therapeutic potentials.
Formula:C29H40O8
InChI:InChI=1S/C29H40O8/c1-6-15-9-24(37-25(34)14(15)2)28(5,35)22-7-8-29(36)17-10-19(30)18-11-20(31)21(32)13-26(18,3)16(17)12-23(33)27(22,29)4/h10,16,18,20-22,24,31-32,35-36H,6-9,11-13H2,1-5H3/t16-,18-,20+,21-,22-,24+,26+,27-,28+,29+/m0/s1
InChI key:InChIKey=LLPOMLNTBDOEOC-LYUHEGIFSA-N
SMILES:O[C@]12[C@@](C)([C@@]([C@@](C)(O)[C@]3(CC(CC)=C(C)C(=O)O3)[H])(CC1)[H])C(=O)C[C@]4(C2=CC(=O)[C@]5([C@]4(C)C[C@H](O)[C@H](O)C5)[H])[H]
Synonyms:
  • Ajugalactone
  • Stigmasta-7,24-dien-26-oic acid, 2,3,14,20,22-pentahydroxy-6,12-dioxo-, δ-lactone, (2β,3β,5β,22R)-
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