| SpectraBase Spectrum ID |
71eHTQPyfUJ |
| Name |
(1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-bis[(4-bromobenzoyl)oxy]ethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1-(4-bromobenzoyl)oxy-8b-hydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b]benzofuran-2-carboxylic acid methyl ester |
| Compound Number |
1D |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C55H47Br3O16 |
| InChI |
InChI=1S/C55H47Br3O16/c1-64-38-24-16-34(17-25-38)55-45(30-8-6-5-7-9-30)44(51(62)66-3)47(73-50(61)33-14-22-37(58)23-15-33)54(55,63)46-40(65-2)26-39(27-41(46)74-55)70-53-52(67-4)69-29-43(72-53)42(71-49(60)32-12-20-36(57)21-13-32)28-68-48(59)31-10-18-35(56)19-11-31/h5-27,42-45,47,52-53,63H,28-29H2,1-4H3/t42-,43-,44-,45-,47-,52-,53-,54+,55+/m1/s1 |
| InChIKey |
RSEFIOCALCRWRP-RGFNBXIRSA-N |
| Literature Reference Author |
B.Y.HWANG,B.N.SU,H.CHAI,Q.MI,L.B.S.KARDONO,J.J.AFRIASTINI,S.
RISWAN,B.D.SANTARSIE |
| Literature Reference Citation |
J.ORG.CHEM.,69,3350(2004) |
| Literature Reference DOI |
10.1021/jo040120f |
| Molecular Weight |
1203.681 g/mol |
| Solvent |
CDCl3 |
| Source File Reference |
UWVN21327 |
![(1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-bis[(4-bromobenzoyl)oxy]ethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1-(4-bromobenzoyl)oxy-8b-hydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b]benzofuran-2-carboxylic acid methyl ester](/api/spectrum/71eHTQPyfUJ/structure.png?h=300&w=458 "(1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-bis[(4-bromobenzoyl)oxy]ethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1-(4-bromobenzoyl)oxy-8b-hydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b]benzofuran-2-carboxylic acid methyl ester")
