| SpectraBase Spectrum ID |
5ufMS81ykX1 |
| Name |
(1R,2S,3S,5S,6R,7R)-7-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-2,6-dihydroxy-5-[3-[(1S,2R)-1-hydroxy-2-methyl-3-phenyl-propyl]but-3-enyl]-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid |
| Compound Number |
2 |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C33H44O13 |
| InChI |
InChI=1S/C33H44O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-13,18-19,21,24-27,35-36,43H,4,6,14-17H2,1-3,5H3,(H,37,38)(H,39,40)(H,41,42)/b13-12+/t18-,19+,21+,24+,25+,26+,27+,31-,32+,33-/m0/s1 |
| InChIKey |
YQJGFEMAMZRZOE-FGICSGBJSA-N |
| Literature Reference Author |
P.J.SIDEBOTTOM,R.M.HIGHCOCK,S.J.LANE,P.A.PROCOPIOU,N.S.WATSO
N |
| Literature Reference Citation |
J.ANTIBIOTICS,45,648(1992) |
| Literature Reference DOI |
10.7164/antibiotics.45.648 |
| Molecular Weight |
648.705 g/mol |
| Sample ID |
45871 |
| Solvent |
CD3OD |
![(1R,2S,3S,5S,6R,7R)-7-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-2,6-dihydroxy-5-[3-[(1S,2R)-1-hydroxy-2-methyl-3-phenyl-propyl]but-3-enyl]-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid](/api/spectrum/5ufMS81ykX1/structure.png?h=300&w=458 "(1R,2S,3S,5S,6R,7R)-7-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-2,6-dihydroxy-5-[3-[(1S,2R)-1-hydroxy-2-methyl-3-phenyl-propyl]but-3-enyl]-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid")
