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CAS 15664-29-6

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[3S-(3α,4β,21β)]-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionic acid

Description:
The chemical substance with the name "[3S-(3α,4β,21β)]-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionic acid" and CAS number "15664-29-6" is a complex organic compound that belongs to the class of phorbines, which are cyclic compounds featuring a porphyrin-like structure. This particular compound exhibits a range of functional groups, including a methoxycarbonyl group and a propionic acid moiety, which contribute to its chemical reactivity and potential biological activity. The presence of multiple methyl groups indicates a degree of steric hindrance, which can influence its interactions with biological targets. Additionally, the vinyl group suggests potential for polymerization or other reactions under appropriate conditions. The stereochemistry, denoted by the specific configuration at various chiral centers, is crucial for determining the compound's biological activity and pharmacological properties. Overall, this substance may have applications in medicinal chemistry, particularly in the development of therapeutic agents or as a probe in biochemical research.
Formula:C35H36N4O5
InChI:InChI=1/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-,31+/m0/s1
InChI key:InChIKey=NSFSLUUZQIAOOX-JTLCFGHISA-N
SMILES:C(OC)(=O)[C@@H]1C=2C3=C(C1=O)C(C)=C(N3)C=C4C(CC)=C(C)C(=N4)C=C5NC(=CC6=NC2[C@@H](CCC(O)=O)[C@@H]6C)C(C)=C5C=C
Synonyms:
  • (3S,4S,21R)-9-Ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid
  • (3S-(3alpha,4beta,21beta))-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionic acid
  • 2-Deacetyl-2-vinylbacteriopheophorbide
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, [3S-(3α,4β,21β)]-
  • 3-Phorbinepropionic acid, 21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-, 21-methyl ester
  • 3-[(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-24,25-dihydrophorbin-3-yl]propanoic acid
  • 3-[(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl]propanoic acid
  • Ccris 8091
  • Phaeophorbide a
  • See more synonyms
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