CAS 134461-76-0

4,7-Didehydroneophysalin B

Description:

4,7-Didehydroneophysalin B is a chemical compound that belongs to the class of natural products known as alkaloids, specifically derived from certain plant species. It is characterized by its unique molecular structure, which includes multiple functional groups that contribute to its biological activity. The compound is known for its potential pharmacological properties, including antimicrobial and anti-inflammatory effects, making it of interest in medicinal chemistry. Its molecular formula and specific stereochemistry play a crucial role in determining its reactivity and interaction with biological targets. Additionally, 4,7-Didehydroneophysalin B may exhibit solubility in various organic solvents, which is typical for many alkaloids. The compound's stability can be influenced by environmental factors such as pH and temperature. Research into its synthesis and applications continues to expand, highlighting its significance in the field of natural product chemistry and potential therapeutic uses.

Formula: C₂₈H₂₈O₉

InChI: InChI=1S/C28H28O9/c1-23-11-18-25(3)28-20(23)27(22(32)37-28,34-12-16(23)19(30)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)21(31)36-25/h4-8,14-16,18,20,33H,9-12H2,1-3H3/t14-,15+,16-,18+,20+,23+,24-,25-,26-,27-,28-/m0/s1

InChI key: InChIKey=KUSIVZBQAMNZCO-MVBDKYCCSA-N

SMILES: C[C@]12[C@]34[C@]5([C@](C(=O)O3)([C@]6([C@](CC[C@]4(O)C(=O)O1)([C@]7(C)C(C=C6)=CC=CC7=O)[H])[H])OC[C@@]8([C@@]5(C)C[C@]2(OC8=O)[H])[H])[H]

Synonyms:

• 4,7-Didehydroneophysalin B
• 13H-16,6a-(Epoxymethano)-15,2,16-(methanoxymetheno)-4H,6aH-naphtho[1′,2′:7,8]cycloocta[1,2-b]pyrano[4,3-d]pyran-4,12,19,21(12aH)-tetrone, 1,2,4a,5,6b,12b,14,15,16a,16b-decahydro-15-hydroxy-12a,16b,17-trimethyl-, (2R,4aS,6aS,6bR,12aR,12bS,15R,16R,16aS,16bS,17S)-
• (2R,4aS,6aS,6bR,12aR,12bS,15R,16R,16aS,16bS,17S)-1,2,4a,5,6b,12b,14,15,16a,16b-Decahydro-15-hydroxy-12a,16b,17-trimethyl-13H-16,6a-(epoxymethano)-15,2,16-(methanoxymetheno)-4H,6aH-naphtho[1′,2′:7,8]cycloocta[1,2-b]pyrano[4,3-d]pyran-4,12,19,21(12aH)-tetrone
• 13H-16,6a-(Epoxymethano)-15,2,16-(methanoxymetheno)-4H,6aH-naphtho[1′,2′:7,8]cycloocta[1,2-b]pyrano[4,3-d]pyran-4,12,19,21(12aH)-tetrone, 1,2,4a,5,6b,12b,14,15,16a,16b-decahydro-15-hydroxy-12a,16b,17-trimethyl-, [2R-(2α,4aα,6aβ,6bα,12aα,12bβ,15β,16β,16aα,16bβ,17S*)]-