Pyropheophytin b

CAS Registry Number®

77331-75-0

CAS Name

Pyropheophytin b

Molecular Formula

C53H70N4O4

Molecular Mass

827.15

Cite this Page

Pyropheophytin b.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77331-75-0 (retrieved 2024-11-26) (CAS RN: 77331-75-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H70N4O4/c1-11-38-35(8)43-27-44-36(9)40(22-23-50(60)61-25-24-34(7)21-15-20-33(6)19-14-18-32(5)17-13-16-31(3)4)52(56-44)41-26-49(59)51-37(10)45(57-53(41)51)28-47-39(12-2)42(30-58)48(55-47)29-46(38)54-43/h11,24,27-33,36,40,54,57H,1,12-23,25-26H2,2-10H3/b34-24+,43-27?,44-27-,45-28-,46-29?,47-28?,48-29-,52-41?/t32-,33-,36+,40+/m1/s1

InChIKey

InChIKey=QASFEBXRNBDRTN-RJGRGBHZSA-N

SMILES

CC=1C2=C3C(=C4[C@@H](CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=O)[C@H](C)C(=N4)C=C5NC(=CC6=NC(=CC1N3)C(CC)=C6C=O)C(C=C)=C5C)CC2=O

Canonical SMILES

O=CC=1C=2N=C(C=C3NC=4C(C(=O)CC4C5=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-4,8,18-trimethyl-20-oxo-, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl ester, (3S,4S)-
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [3S-[3α(2E,7S*,11S*),4β]]-
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S,4S)-
  • Pyropheophytin b

CAS INSIGHTSTM
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