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GAMMA-[(17-OXO-4-NITRO-ESTRA-1,3,5(10)-TRIEN-3-YL)-OXY]-PROPYL-2,3-O-ISOPROPYLIDENE-5-O-METHYL-BETA-D-RIBOFURANOSIDE
SpectraBase Compound ID IYo7LyRn36i
InChI InChI=1S/C30H41NO9/c1-29(2)39-26-23(16-35-4)38-28(27(26)40-29)37-15-5-14-36-22-10-8-17-18-12-13-30(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 WSOJGHPWJNHZNW-JNJJBZNPSA-N
Mol Weight 559.7 g/mol
Molecular Formula C30H41NO9
Exact Mass 559.278132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rezTPMZn5F
Name GAMMA-[(17-OXO-4-NITRO-ESTRA-1,3,5(10)-TRIEN-3-YL)-OXY]-PROPYL-2,3-O-ISOPROPYLIDENE-5-O-METHYL-BETA-D-RIBOFURANOSIDE
CAS Registry Number 80082-71-9
Compound Number 5B
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(16-35-4)38-28(27(26)40-29)37-15-5-14-36-22-10-8-17-18-12-13-30(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 WSOJGHPWJNHZNW-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 UWCS12515