Pheophytin a

CAS Registry Number®

603-17-8

CAS Name

Pheophytin a

Molecular Formula

C55H74N4O5

Molecular Mass

871.20

Cite this Page

Pheophytin a.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=603-17-8 (retrieved 2024-11-25) (CAS RN: 603-17-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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?/t32-,33-,37+,41+,51-/m1/s1

InChIKey

InChIKey=CQIKWXUXPNUNDV-HCCMVGFNSA-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(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=O)[C@@H]6C)C(C)=C5C=C

Canonical SMILES

O=C(OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)CCC1C2=NC(=CC=3NC(C=C4N=C(C=C5NC=6C(C(=O)C(C(=O)OC)C62)=C5C)C(=C4C)CC)=C(C=C)C3C)C1C

Other Names for this Substance

  • 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-hexadecen-1-yl ester, (3S,4S,21R)-
  • Pheophytin a
  • 3-Phorbinepropionic acid, 21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-, 21-methyl 3-phytyl ester, (E)-
  • 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-[3α(2E,7S*,11S*),4β,21β]]-
  • 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)-

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Deleted or Replaced CAS Registry Numbers

100759-86-2, 15113-35-6, 28553-18-6, 37231-51-9, 37281-15-5, 37317-89-8, 52118-63-5, 178157-11-4

CAS INSIGHTSTM
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