Pheophytin b

CAS Registry Number®

3147-18-0

CAS Name

Pheophytin b

Molecular Formula

C55H72N4O6

Molecular Mass

885.18

Cite this Page

Pheophytin b.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3147-18-0 (retrieved 2024-11-22) (CAS RN: 3147-18-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,59H,1,13-24,26H2,2-11H3/b34-25+,42-27?,43-27-,44-28-,45-29?,46-28?,47-29-,52-50?/t32-,33-,36+,40+,51-/m1/s1

InChIKey

InChIKey=ZQGOYEJYAYJFTL-WSNWOQFWSA-N

SMILES

C(OC)(=O)[C@@H]1C=2C3=C(C1=O)C(C)=C(N3)C=C4C(CC)=C(C=O)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=CC=1C=2N=C(C=C3NC=4C(C(=O)C(C(=O)OC)C4C5=NC(=CC=6NC(C2)=C(C=C)C6C)C(C)C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)=C3C)C1CC

Other Names for this Substance

  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl ester, (3S,4S,21R)-
  • Pheophytin b
  • 3-Phorbinepropionic acid, 21-carboxy-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinyl-, 21-methyl 3-phytyl ester, (E)-
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [3S-[3α(2E,7S*,11S*),4β,21β]]-
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-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

100643-12-7, 811-45-0, 24274-22-4

CAS INSIGHTSTM
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