| SpectraBase Spectrum ID |
InwgwkJfmVB |
| Name |
2-{3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-[2-methoxy-4-(3'-hydroxypropenylphenyl)oxy]prop-2-yloxy}-5-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]-1,3-dimethoxybenzene peracetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
918.331014881 u |
| Formula |
C48H54O18 |
| InChI |
InChI=1S/C48H54O18/c1-28(49)59-21-13-14-33-17-19-39(40(22-33)55-7)65-46(34-18-20-38(62-31(4)52)41(23-34)56-8)45(27-61-30(3)51)66-48-42(57-9)24-35(25-43(48)58-10)47(63-32(5)53)44(26-60-29(2)50)64-37-16-12-11-15-36(37)54-6/h11-20,22-25,44-47H,21,26-27H2,1-10H3/b14-13+ |
| InChIKey |
CFQMEGSRBMGLJO-BUHFOSPRSA-N |
| Molecular Weight |
918.942 g/mol |
| SMILES |
C1(OC(C(OC=2C(=CC(\C=C\COC(=O)C)=CC2)OC)C=2C=C(OC)C(=CC2)OC(=O)C)COC(=O)C)=C(C=C(C=C1OC)C(C(OC=1C(OC)=CC=CC1)COC(=O)C)OC(=O)C)OC |
![2-{3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-[2-methoxy-4-(3'-hydroxypropenylphenyl)oxy]prop-2-yloxy}-5-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]-1,3-dimethoxybenzene peracetate](/api/spectrum/InwgwkJfmVB/structure.png?h=300&w=458 "2-{3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-[2-methoxy-4-(3'-hydroxypropenylphenyl)oxy]prop-2-yloxy}-5-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]-1,3-dimethoxybenzene peracetate")
