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(10R)-Pheophytin A

View entire compound with spectra: 2 NMR, and 1 MS (GC)

(10R)-Pheophytin A
SpectraBase Compound ID LM6SgdIs6ZY
InChI InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-
InChIKey CQIKWXUXPNUNDV-PNKASSELSA-N
Mol Weight 871.2 g/mol
Molecular Formula C55H74N4O5
Exact Mass 870.565921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5GdlTkldPu
Name 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo- , 3,7,11,15-tetramethyl-2-hexadecenyl ester, [3S-[3.alpha.(2E,7S*,11S*),4.beta.,21.beta.]]-
CAS Registry Number 603-17-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C55H74N4O5
InChI InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-
InChIKey CQIKWXUXPNUNDV-PNKASSELSA-N
Molecular Weight 871.220 g/mol
SMILES [nH]1c2c3c(c1cc1nc(cc4[nH]c(cc5nc(c2C(C3=O)C(=O)OC)C(C5C)CCC(=O)OC\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)c(c4C=C)C)c(c1CC)C)C
SPLASH splash10-00di-0000100090-f35499b4c4adbfe453b9
Source of Spectrum AC-1981-304-1
Synonyms 3,7,11,15-Tetramethylhexadec-2-en-1-yl (3S-(3alpha(2E,7S*,11S*),4beta,21beta))-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionate 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S,4S,21R)- 3-Phorbinepropionic acid, 21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-, 21-methyl 3-phytyl ester, (E)- Chlorophyllic acid A Methyl 16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1(5,8).1(10,13).1(15,18).0(2,6)]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate Phaeophytin A Pheophytin A Pheophytin A5 EINECS 210-031-3
Wiley ID 1417835