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Substance Name: EINECS 221-565-1
RN: 3147-18-0
UNII: VJ9SZL3T3Y
InChIKey: ZQGOYEJYAYJFTL-LCEKIETQSA-N

Molecular Formula

  • C55-H72-N4-O6

Molecular Weight

  • 885.1958
 
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Names and Synonyms

Results Name

  • EINECS 221-565-1

Name of Substance

  • Pheophytin B

Synonyms

  • EINECS 221-565-1
  • UNII-VJ9SZL3T3Y

Systematic Names

  • 3,7,11,15-Tetramethylhexadec-2-en-1-yl (3S(3alpha(2E,7S*,11S*),4beta,21beta)-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionate
  • 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)-
  • 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)-

Registry Numbers

CAS Registry Number

  • 3147-18-0

FDA UNII

  • VJ9SZL3T3Y

Other Registry Numbers

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

System Generated Number

  • 0003147180

Structure Descriptors

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

ZQGOYEJYAYJFTL-LCEKIETQSA-N

Smiles

CCc1c(C=O)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)C6=C(C)c(cc1n2)[nH]c56)c(C)c3C=C