![METHYL-5-O-(GAMMA-[(17-OXO-4-NITRO-ESTRA-1,3,5(10)-TRIEN-3-YL)-OXY]-PROPYL)-2,3-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSIDE](/api/spectrum/2giz9gNGPMp/structure.png?h=300&w=458 "METHYL-5-O-(GAMMA-[(17-OXO-4-NITRO-ESTRA-1,3,5(10)-TRIEN-3-YL)-OXY]-PROPYL)-2,3-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSIDE")
| SpectraBase Compound ID | 1Jm4Sdniy0L |
|---|---|
| InChI | InChI=1S/C30H41NO9/c1-29(2)39-26-23(38-28(35-4)27(26)40-29)16-36-14-5-15-37-22-10-8-17-18-12-13-30(3)21(9-11-24(30)32)19(18)6-7-20(17)25(22)31(33)34/h8,10,18-19,21,23,26-28H,5-7,9,11-16H2,1-4H3/t18?,19?,21?,23-,26-,27-,28-,30?/m1/s1 |
| InChIKey | ILDLXCSSYHLIJB-JNJJBZNPSA-N |
| Mol Weight | 559.7 g/mol |
| Molecular Formula | C30H41NO9 |
| Exact Mass | 559.278132 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2giz9gNGPMp |
|---|---|
| Name | METHYL-5-O-(GAMMA-[(17-OXO-4-NITRO-ESTRA-1,3,5(10)-TRIEN-3-YL)-OXY]-PROPYL)-2,3-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSIDE |
| CAS Registry Number | 80082-69-5 |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H41NO9 |
| InChI | InChI=1S/C30H41NO9/c1-29(2)39-26-23(38-28(35-4)27(26)40-29)16-36-14-5-15-37-22-10-8-17-18-12-13-30(3)21(9-11-24(30)32)19(18)6-7-20(17)25(22)31(33)34/h8,10,18-19,21,23,26-28H,5-7,9,11-16H2,1-4H3/t18?,19?,21?,23-,26-,27-,28-,30?/m1/s1 |
| InChIKey | ILDLXCSSYHLIJB-JNJJBZNPSA-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 | 559.657 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS12513 |