![METHYL-5-O-(BETA-[(17-OXO-4-NITRO-ESTRA-1,3,5(10)-TRIEN-3-YL)-OXY]-ETHYL)-2,3-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSIDE](/api/spectrum/Aj5XRkYVuVv/structure.png?h=300&w=458 "METHYL-5-O-(BETA-[(17-OXO-4-NITRO-ESTRA-1,3,5(10)-TRIEN-3-YL)-OXY]-ETHYL)-2,3-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSIDE")
| SpectraBase Compound ID | 24LPGPAWT2Q |
|---|---|
| InChI | InChI=1S/C29H39NO9/c1-28(2)38-25-22(37-27(34-4)26(25)39-28)15-35-13-14-36-21-9-7-16-17-11-12-29(3)20(8-10-23(29)31)18(17)5-6-19(16)24(21)30(32)33/h7,9,17-18,20,22,25-27H,5-6,8,10-15H2,1-4H3/t17?,18?,20?,22-,25-,26-,27-,29?/m0/s1 |
| InChIKey | WRGRXHPVQJXSGO-OCLSFLKSSA-N |
| Mol Weight | 545.6 g/mol |
| Molecular Formula | C29H39NO9 |
| Exact Mass | 545.262482 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Aj5XRkYVuVv |
|---|---|
| Name | METHYL-5-O-(BETA-[(17-OXO-4-NITRO-ESTRA-1,3,5(10)-TRIEN-3-YL)-OXY]-ETHYL)-2,3-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSIDE |
| CAS Registry Number | 80082-68-4 |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H39NO9 |
| InChI | InChI=1S/C29H39NO9/c1-28(2)38-25-22(37-27(34-4)26(25)39-28)15-35-13-14-36-21-9-7-16-17-11-12-29(3)20(8-10-23(29)31)18(17)5-6-19(16)24(21)30(32)33/h7,9,17-18,20,22,25-27H,5-6,8,10-15H2,1-4H3/t17?,18?,20?,22-,25-,26-,27-,29?/m0/s1 |
| InChIKey | WRGRXHPVQJXSGO-OCLSFLKSSA-N |
| Literature Reference Author | V.K.IYER,J.P.HORWITZ |
| Literature Reference Citation | J.ORG.CHEM.,47,644(1982) |
| Literature Reference DOI | 10.1021/jo00343a008 |
| Molecular Weight | 545.630 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS12512 |