Pyropheophorbidea

Catalog Number

ACM24533720-2

CAS

24533-72-0

Structure

Synonyms

3-Phorbinepropanoicacid

IUPAC Name

3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-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-undecaen-22-yl]propanoicacid

Molecular Weight

534.65

Molecular Formula

C33H34N4O3

Canonical SMILES

CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)O)C)C

InChI

InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,36,38H,1,8-11H2,2-6H3,(H,39,40)/t17-,21-/m0/s1

InChI Key

FDKRLXBXYZKWRZ-UWJYYQICSA-N

Boiling Point

1006.4 ± 65.0 °C

Purity

95%+

Density

1.259 ± 0.06 g/ml

• Catalog Number: ACM24533720-2
• CAS: 24533-72-0
• Synonyms: 3-Phorbinepropanoicacid
• IUPAC Name: 3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-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-undecaen-22-yl]propanoicacid
• Molecular Weight: 534.65
• Molecular Formula: C33H34N4O3
• Canonical SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)O)C)C
• InChI: InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,36,38H,1,8-11H2,2-6H3,(H,39,40)/t17-,21-/m0/s1
• InChI Key: FDKRLXBXYZKWRZ-UWJYYQICSA-N
• Boiling Point: 1006.4 ± 65.0 °C
• Purity: 95%+
• Density: 1.259 ± 0.06 g/ml