| SpectraBase Spectrum ID |
JmilKCigZ4h |
| Name |
1,16-Ethenofuro[3,4-l][1,5,10]triazacyclohexadecine-15-acetic acid, 10,14-diacetyl-5-[3-(benzoylamino)propyl]-3,3a,4,5,6,7,8,9,10,11,12,1 3,14,15-tetradecahydro-3-(4-methoxyphenyl)-4-oxo-, methyl-D3 ester |
| Alternate Name(s) |
N(6),N(10)-Diacetyl-N(23)-benzoyl-24-(methoxy-D3)-O(34)-methyl-23,24-dihydro-23,24-secoaphelandrine |
| CAS Registry Number |
69721-87-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C41H47D3N4O8 |
| InChI |
InChI=1S/C41H50N4O8/c1-28(46)43-21-8-9-22-44(23-10-20-42-40(49)31-12-6-5-7-13-31)41(50)38-34-26-32(35(27-37(48)52-4)45(29(2)47)25-11-24-43)16-19-36(34)53-39(38)30-14-17-33(51-3)18-15-30/h5-7,12-19,26,35,38-39H,8-11,20-25,27H2,1-4H3,(H,42,49)/i4D3 |
| InChIKey |
SSQZSTUNIZTJCD-GKOSEXJESA-N |
| Molecular Weight |
729.889 g/mol |
| SMILES |
N(C(=O)c1ccccc1)CCCN1C(C2c3c(ccc(C(N(C(=O)C)CCCN(CCCC1)C(=O)C)CC(=O)OC([2D])([2D])[2D])c3)OC2c1ccc(cc1)OC)=O |
| SPLASH |
splash10-000i-1529000000-87a6f2017604e054af83 |
| Source of Spectrum |
H-61-2670-0 |
| Wiley ID |
128518 |
![1,16-Ethenofuro[3,4-l][1,5,10]triazacyclohexadecine-15-acetic acid, 10,14-diacetyl-5-[3-(benzoylamino)propyl]-3,3a,4,5,6,7,8,9,10,11,12,1 3,14,15-tetradecahydro-3-(4-methoxyphenyl)-4-oxo-, methyl-D3 ester](/api/spectrum/JmilKCigZ4h/structure.png?h=300&w=458 "1,16-Ethenofuro[3,4-l][1,5,10]triazacyclohexadecine-15-acetic acid, 10,14-diacetyl-5-[3-(benzoylamino)propyl]-3,3a,4,5,6,7,8,9,10,11,12,1 3,14,15-tetradecahydro-3-(4-methoxyphenyl)-4-oxo-, methyl-D3 ester")
