| SpectraBase Spectrum ID |
5JDKWN6huZP |
| Name |
3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-hydroxy-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, methyl ester, [3S-(3.alpha.,4.beta.,21.beta.)]- |
| CAS Registry Number |
53358-14-8 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H38N4O6 |
| InChI |
InChI=1S/C36H38N4O6/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)45-7)32(39-25)31-33-30(34(42)36(31,44)35(43)46-8)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,40,44H,1,10-12H2,2-8H3/b23-13-,24-14-,25-13-,26-15-,27-14-,28-15-,32-31+ |
| InChIKey |
DOFYAVLOCYRMIV-QJPRCQHKSA-N |
| Molecular Weight |
622.722 g/mol |
| SMILES |
[nH]1c2c3C(C(c2c(C)c1cc1nc(c(c1CC)C)cc1[nH]c(c(c1C=C)C)cc1nc3C(C1C)CCC(=O)OC)=O)(C(=O)OC)O |
| SPLASH |
splash10-03k9-0000097000-0f806ce19c867ccc0766 |
| Source of Spectrum |
AC-1981-304-1 |
| Synonyms |
Methyl 11-ethyl-3-hydroxy-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-16-vinyl-7,23,24,25-tetraazahexacyclo[18.2.1.1(5,8).1(10,13).1(15,18).0(2,6)]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate
Methyl-13-hydroxy-phaeophorbide-A |
| Wiley ID |
1411670 |
![3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-hydroxy-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, methyl ester, [3S-(3.alpha.,4.beta.,21.beta.)]-](/api/spectrum/5JDKWN6huZP/structure.png?h=300&w=458 "3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-hydroxy-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, methyl ester, [3S-(3.alpha.,4.beta.,21.beta.)]-")
