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(1RS,2RS,4RS,4ASR,10ASR)-4-(1'-BENZOYLOXYPROPYL)-1,2-DIMETHYL-7-METHOXY-3,4,4A,9,10,10A-HEXAHYDROPHENANTHRENE-1(2H)-CARBOXYLIC-ACID

View entire compound with spectra: 1 NMR

(1RS,2RS,4RS,4ASR,10ASR)-4-(1'-BENZOYLOXYPROPYL)-1,2-DIMETHYL-7-METHOXY-3,4,4A,9,10,10A-HEXAHYDROPHENANTHRENE-1(2H)-CARBOXYLIC-ACID
SpectraBase Compound ID Jc8BOB7kfZw
InChI InChI=1S/C28H34O5/c1-5-24(33-26(29)18-9-7-6-8-10-18)22-15-17(2)28(3,27(30)31)23-14-11-19-16-20(32-4)12-13-21(19)25(22)23/h6-10,12-13,16-17,22-25H,5,11,14-15H2,1-4H3,(H,30,31)/t17-,22+,23+,24?,25-,28-/m1/s1
InChIKey DHVSBOPATQQUML-AKKUYKQMSA-N
Mol Weight 450.6 g/mol
Molecular Formula C28H34O5
Exact Mass 450.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID La7a7vUIMHO
Name (1RS,2RS,4RS,4ASR,10ASR)-4-(1'-BENZOYLOXYPROPYL)-1,2-DIMETHYL-7-METHOXY-3,4,4A,9,10,10A-HEXAHYDROPHENANTHRENE-1(2H)-CARBOXYLIC-ACID
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O5
InChI InChI=1S/C28H34O5/c1-5-24(33-26(29)18-9-7-6-8-10-18)22-15-17(2)28(3,27(30)31)23-14-11-19-16-20(32-4)12-13-21(19)25(22)23/h6-10,12-13,16-17,22-25H,5,11,14-15H2,1-4H3,(H,30,31)/t17-,22+,23+,24?,25-,28-/m1/s1
InChIKey DHVSBOPATQQUML-AKKUYKQMSA-N
Literature Reference Author K.A.FAIRWEATHER,L.N.MANDER
Literature Reference Citation ORG.LETTERS,8,3395(2006)
Literature Reference DOI 10.1021/ol061228f
Molecular Weight 450.575 g/mol
Sample ID 60516
Solvent CDCl3