| SpectraBase Spectrum ID |
9X7nmNxHt7J |
| Name |
Acetic-D3 acid,4-[10,14-di(acetyl-D3)-3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-4,21-dioxo-4H-1,16-etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecin-3-yl]phenyl ester |
| Alternate Name(s) |
4H-1,16-etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine, acetic-D3 acid deriv.
N(6),n(10),o(34)-tris(trideuterioacetyl)aphelandrine
N6,n10,o-tri(trideuteroacetyl)aphelandrine |
| CAS Registry Number |
69721-82-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H33D9N4O7 |
| InChI |
InChI=1S/C34H42N4O7/c1-22(39)36-15-4-5-16-37-17-6-14-35-31(42)21-29(38(23(2)40)19-7-18-36)26-10-13-30-28(20-26)32(34(37)43)33(45-30)25-8-11-27(12-9-25)44-24(3)41/h8-13,20,29,32-33H,4-7,14-19,21H2,1-3H3,(H,35,42)/t29?,32-,33?/m0/s1/i1D3,2D3,3D3 |
| InChIKey |
HGLIEVSRYHDKHE-XQJHDVQOSA-N |
| Molecular Weight |
627.786 g/mol |
| SMILES |
N1C(CC2c3ccc4c([C@](C(N(CCC1)CCCCN(CCCN2C(=O)C([2D])([2D])[2D])C(=O)C([2D])([2D])[2D])=O)(C(O4)c1ccc(OC(=O)C([2D])([2D])[2D])cc1)[H])c3)=O |
| SPLASH |
splash10-0il0-5690020000-882c18d19d4e5be37712 |
| Source of Spectrum |
H-61-2660-0 |
| Wiley ID |
1411409 |
![Acetic-D3 acid,4-[10,14-di(acetyl-D3)-3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-4,21-dioxo-4H-1,16-etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecin-3-yl]phenyl ester](/api/spectrum/9X7nmNxHt7J/structure.png?h=300&w=458 "Acetic-D3 acid,4-[10,14-di(acetyl-D3)-3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-4,21-dioxo-4H-1,16-etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecin-3-yl]phenyl ester")
