| SpectraBase Compound ID | CiTS9W5hZ3F |
|---|---|
| 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+/t18?,22-,36-/m1/s1 |
| InChIKey | DOFYAVLOCYRMIV-ZQQGYDJMSA-N |
| Mol Weight | 622.7 g/mol |
| Molecular Formula | C36H38N4O6 |
| Exact Mass | 622.279135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6dcjdO8Htp |
|---|---|
| Name | METHYL-(10S)-HYDROXYPHEOPHORBIDE-A |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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+/t18?,22-,36-/m1/s1 |
| InChIKey | DOFYAVLOCYRMIV-ZQQGYDJMSA-N |
| Literature Reference Author | H.H.CHENG,H.K.WANG,J.ITO,K.F.BASTOW,Y.TACHIBANA,Y.NAKANISHI, Z.XU,T.Y.LUO,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,64,915(2001) |
| Literature Reference DOI | 10.1021/np000595b |
| Molecular Weight | 622.721 g/mol |
| Solvent | Unknown |
| Source File Reference | UWSI1219 |