For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
METHYL-17-BETA-ACETOXY-3-METHOXY-15-ALPHA-PHENYLTHIO-14,17-ALPHA-ETHANOESTRA-1,3,5(10)-TRIENE-16-BETA-CARBOXYLATE
SpectraBase Compound ID 4gVuHlDwBlE
InChI InChI=1S/C31H36O5S/c1-19(32)36-31-17-16-30(27(26(31)28(33)35-4)37-22-8-6-5-7-9-22)25-13-10-20-18-21(34-3)11-12-23(20)24(25)14-15-29(30,31)2/h5-9,11-12,18,24-27H,10,13-17H2,1-4H3/t24?,25?,26-,27?,29+,30?,31-/m1/s1
InChIKey WNISYMTVXVKQBG-LLQAWNLJSA-N
Mol Weight 520.7 g/mol
Molecular Formula C31H36O5S
Exact Mass 520.228345 g/mol
Enantiomer InChIKey WNISYMTVXVKQBG-CICWNITDSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
6H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-1(13aH)-one, 5,7,10,12-tetrakis(acetyloxy)-2a,5,7,7a,10,11,11a,12-octahydro-11-hydroxy-4,7a,11,13a-tetramethyl-, (2aR*,3Z,5S*,7R*,7aR*,8Z,10S*,11R*,11aR*,12R*,12aS*,13aS*)-
(2S,5S*,7S*,9S,1-S,12R,13Z,15R)-2-[(2R,5R,6S)-5-Benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-9-[(R)-1-ethyl-2-oxobutyl]-15-(4-methoxybenzyloxy)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.3.5]pentadec-13-ene
4H,6H,15H,17H-Tetrapyrano[2,3-f:2',3'-f':2'',3''-h:2''',3'''-h']cyclo buta[1,2-c:4,3-c']bis[1]benzopyran-4,17-dione, 10,10a,10b,11,20c,20d-hexahydro-2,6,6,10,10,11,11,15,15,19-decamethyl-, [10aS-(10a.alpha.,10b.beta.,20c.beta.,20d.alpha.)]-
1,2,3,4,4a,5,6,-octahydro-3.alpha.-(tert-butyldimethylsilyloxy)-4b.beta.,8.alpha.-dimethyl-1.alpha.-[2-(methoxymethoxy)ethyl]-2.alpha.-((methoxymethoxy)methyl)-7H-2.beta.,10a.beta.-(epoxymethano)-phenanthrene-7,10(8H)-dione 7-(ethylene acetal)
Laminat VII31-0164+HX+DMP 30
Poly(ethylene glycol), reacted with Bisphenol A diglycidyl ether
Spiro[12,15:17,20-dietheno-6H,16H,22H-dibenzo[b,d][1,6,12,22]tetraox acycloheptacosin-16,4'-piperidine]-1,31-dimethanamine, 7,8,9,10,23,24,25,26-octahydro-N,N,N',N',1',13,19,32,35-nonamethyl-, (S)-
(1.alpha.,4a.beta.,7a.alpha.,10a.alpha.,10b.beta.,10c.beta.)-6-[(1,1-Dimethylethyl)dimethylsiloxy]-1-(ethoxyethynyl)-4a,5,7,7a,10,10a,10b,10c-octahydro-1-methoxy-2,10c-dimethyl-1H-benz[6,7]indeno[2,1-b]furan-4,9-dione
(1a.alpha.,3a.alpha.,4.beta.,5a.alpha.6.alpha.,8.beta.,8a.alpha.,8b.beta.,10.alpha.,10a.beta.,10b.beta.,10c.alpha.)-4-[(1,1-Dimethylethyl)dimethylsiloxy]tetradecahydro-10-[(2-methoxyethoxy)methoxy]-8-(methoxymethoxy)-6,8b-dimethyl-1H-naphth[2',1',8':3,4,5]azuleno[1.8-bc]furan-3(1aH)-one
4a,1-(Epoxymethano)-4b,7-ethano-2H-fluorene-9-carboxylic acid, 2-(acetyloxy)-1,3,4,5,6,7,8,9a-octahydro-1-methyl-6-methylene-13-oxo-, methyl ester, [1R-(1.alpha.,2.beta.,4a.alpha.,4b.alpha.,7.alpha.,9a.beta.)]-
Title Journal or Book Year
Synthesis of 14,17-propano analogues of estradiol Journal of the Chemical Society, Perkin Transactions 1 1997

This compound is available in the following databases:

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.