Chemical Compound

bacteriochlorophyll a

CAS Registry Number 17499-98-8
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bacteriochlorophyll a chemical structure
Primary Record

bacteriochlorophyll a

In stock
6,095 g
Purity
98.2 %
CAS
17499-98-8

Compound Identifiers & Properties

CAS
17499-98-8
PubChem CID
146034456
SMILES
CC[C@@H]1[C@H](C2=CC3=C(C(=C([N-]3)C=C4[C@H]([C@@H](C(=[NH+]4)C5=C6C(=C(C(=CC1=[NH+]2)[N-]6)C)C(=O)[C@@H]5C(=O)OC)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C.[Mg+2]
Canonical SMILES
CC[C@H]1c2cc3[n-]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3[nH+]c(cc4[n-]c(cc([nH+]2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[Mg+2]

Names & Synonyms

  • bacteriochlorophyll a
  • orb2941014
  • 17499-98-8
  • Magnesium, [(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-13,14-dihydro-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, (SP-4-2)-