Pheophytin a

CAS

603-17-8

Catalog Number

ACM603178

Category

Main Products

Molecular Weight

871.2

Molecular Formula

C₅₅H₇₄N₄O₅

MSDS COA Spec Sheet

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Specification

Synonyms

PHEOPHYTIN A;,11s),4beta,21beta]]-;ramethyl-20-oxo-,3,7,11,15-tetramethyl-2-hexadecenylester,[3s-[3alpha(2e,7s;3,7,11,15-tetramethylhexadec-2-en-1-yl [3S-[3alpha(2E,7S*,11S*),4beta,21beta]]-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionate;PHENOPHYTINA;PHEOPHORBIDE A (SH);PHEOPHYTHIN A

IUPAC Name

pheophytin a

Canonical SMILES

CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)C

InChI Key

DQVGVYRSVYCJRR-HOIIHFJFSA-N

EC Number

210-031-3

Exact Mass

870.56600

What is the molecular formula of pheophytin a?

The molecular formula of pheophytin a is C55H74N4O5.

What are the synonyms for pheophytin a?

The synonyms for pheophytin a are PLU1CG1U91, CHEBI:44898, and chlorophyll a.

Where can pheophytin a be found in nature?

Pheophytin a is a natural product found in Trididemnum solidum, Saussurea medusa, and other organisms.

What is the molecular weight of pheophytin a?

The molecular weight of pheophytin a is 871.2 g/mol.

When was pheophytin a created?

Pheophytin a was created on January 15, 2019.

When was pheophytin a last modified?

Pheophytin a was last modified on October 21, 2023.

What is the IUPAC Name of pheophytin a?

The IUPAC Name of pheophytin a is methyl (3R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate.

What is the InChI of pheophytin a?

The InChI of pheophytin a is 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/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1.

What is the InChIKey of pheophytin a?

The InChIKey of pheophytin a is FDHFJXKRMIVNCQ-OSIZZBRKSA-N.

What is the Canonical SMILES of pheophytin a?

The Canonical SMILES of pheophytin a is CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)O)C)C.