| SpectraBase Spectrum ID |
1zzAj8dRNNZ |
| Name |
Hepta-acetyl-scirpusin B |
| Alternate Name(s) |
5-[.beta.-3',4'-Diacetoxyphenyl)ethenyl]-3-acetoxy-6,7-bis[3'',4'' /4''' 5'''-diacetoxyphenyl]-6,7-dihydrobenzopyran |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H36O15 |
| InChI |
InChI=1S/C42H36O15/c1-21(43)50-32-16-31(17-33(19-32)51-22(2)44)41-40-29(10-8-28-9-12-35(53-24(4)46)37(14-28)55-26(6)48)15-34(52-23(3)45)20-39(40)57-42(41)30-11-13-36(54-25(5)47)38(18-30)56-27(7)49/h8-20,41-42H,1-7H3/b10-8+ |
| InChIKey |
SEFYQTJGRIJYRX-CSKARUKUSA-N |
| Molecular Weight |
780.735 g/mol |
| SMILES |
C1(C(c2c(\C=C\c3cc(OC(=O)C)c(cc3)OC(=O)C)cc(cc2O1)OC(=O)C)c1cc(OC(=O)C)cc(c1)OC(=O)C)c1cc(OC(=O)C)c(cc1)OC(=O)C |
| SPLASH |
splash10-0006-9000000000-cfdfee4afa4f29836a4b |
| Source of Spectrum |
X2-50-295-5 |
| Wiley ID |
1602248 |
