| SpectraBase Spectrum ID |
4HSTSe86lkt |
| Name |
2-phenylacetic acid [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-2,10-diketo-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradec-4-yl] ester |
| Compound Number |
3H |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C38H61NO11 |
| InChI |
InChI=1S/C38H61NO11/c1-12-28-38(8,45)33(43)23(4)30(41)21(2)20-37(7,46-11)34(50-36-31(42)27(39(9)10)18-22(3)47-36)24(5)32(25(6)35(44)48-28)49-29(40)19-26-16-14-13-15-17-26/h13-17,21-25,27-28,31-34,36,42-43,45H,12,18-20H2,1-11H3/t21-,22-,23+,24+,25-,27+,28-,31-,32+,33-,34-,36+,37+,38-/m1/s1 |
| InChIKey |
UBSIAGGMQSLQLX-CFMLXYNASA-N |
| Literature Reference Author |
T.TANIKAWA,T.ASAKA,M.KASHIMURA,Y.MISAWA,K.SUZUKI,M.SATO,K.KA
MEO,S.MORIMOTO,A.NIS |
| Literature Reference Citation |
J.MED.CHEM.,44,4027(2001) |
| Literature Reference DOI |
10.1021/jm015566s |
| Molecular Weight |
707.902 g/mol |
| Sample ID |
45177 |
| Solvent |
CDCl3 |
![2-phenylacetic acid [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-2,10-diketo-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradec-4-yl] ester](/api/spectrum/4HSTSe86lkt/structure.png?h=300&w=458 "2-phenylacetic acid [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-2,10-diketo-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradec-4-yl] ester")
