| SpectraBase Compound ID | DwZX3t0FqrJ |
|---|---|
| InChI | InChI=1S/C51H65NO20/c1-25-30(68-44(62)38(58)35(27-15-11-9-12-16-27)52-46(63)72-47(3,4)5)22-51(64)42(70-43(61)28-17-13-10-14-18-28)40-49(8,41(60)37(57)34(25)48(51,6)7)31(21-32-50(40,24-67-32)71-26(2)53)69-33(55)19-20-65-45-39(59)36(56)29(54)23-66-45/h9-18,29-32,35-40,42,45,54,56-59,64H,19-24H2,1-8H3,(H,52,63)/t29-,30+,31+,32-,35+,36+,37-,38-,39-,40+,42+,45-,49-,50+,51-/m1/s1 |
| InChIKey | CVNFFLDPAHAQTL-HZFFWKAJSA-N |
| Mol Weight | 1012.1 g/mol |
| Molecular Formula | C51H65NO20 |
| Exact Mass | 1011.409993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Wm96j8tIEJ |
|---|---|
| Name | 7-PROPIONYL-DOCETAXEL-3''-O-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H65NO20 |
| InChI | InChI=1S/C51H65NO20/c1-25-30(68-44(62)38(58)35(27-15-11-9-12-16-27)52-46(63)72-47(3,4)5)22-51(64)42(70-43(61)28-17-13-10-14-18-28)40-49(8,41(60)37(57)34(25)48(51,6)7)31(21-32-50(40,24-67-32)71-26(2)53)69-33(55)19-20-65-45-39(59)36(56)29(54)23-66-45/h9-18,29-32,35-40,42,45,54,56-59,64H,19-24H2,1-8H3,(H,52,63)/t29-,30+,31+,32-,35+,36+,37-,38-,39-,40+,42+,45-,49-,50+,51-/m1/s1 |
| InChIKey | CVNFFLDPAHAQTL-HZFFWKAJSA-N |
| Literature Reference Author | K.SHIMODA,N.KUBOTA |
| Literature Reference Citation | MOLECULES,16,6769(2011) |
| Literature Reference DOI | 10.3390/molecules16086769 |
| Molecular Weight | 1012.072 g/mol |
| Sample ID | 45 |
| Solvent | CD3OD |