| SpectraBase Compound ID | 6is0s5UO2SP |
|---|---|
| InChI | InChI=1S/C45H48O24/c1-19(46)56-17-35-38(60-22(4)49)40(62-24(6)51)42(64-26(8)53)44(68-35)57-18-36-39(61-23(5)50)41(63-25(7)52)43(65-27(9)54)45(69-36)66-30-14-33(59-21(3)48)37-31(55)16-32(67-34(37)15-30)28-10-12-29(13-11-28)58-20(2)47/h10-16,35-36,38-45H,17-18H2,1-9H3/t35-,36-,38-,39-,40+,41+,42-,43-,44-,45-/m0/s1 |
| InChIKey | CACLMOCVLYFCBT-WJCOOSIYSA-N |
| Mol Weight | 972.9 g/mol |
| Molecular Formula | C45H48O24 |
| Exact Mass | 972.253552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2SNSKrXNh1o |
|---|---|
| Name | APIGENIN-7-O-GENTOBIOSIDE-NONAACETATE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H48O24 |
| InChI | InChI=1S/C45H48O24/c1-19(46)56-17-35-38(60-22(4)49)40(62-24(6)51)42(64-26(8)53)44(68-35)57-18-36-39(61-23(5)50)41(63-25(7)52)43(65-27(9)54)45(69-36)66-30-14-33(59-21(3)48)37-31(55)16-32(67-34(37)15-30)28-10-12-29(13-11-28)58-20(2)47/h10-16,35-36,38-45H,17-18H2,1-9H3/t35-,36-,38-,39-,40+,41+,42-,43-,44-,45-/m0/s1 |
| InChIKey | CACLMOCVLYFCBT-WJCOOSIYSA-N |
| Literature Reference Author | M.KIKUCHI,N.MATSUDA |
| Literature Reference Citation | J.NAT.PROD.,59,314(1996) |
| Literature Reference DOI | 10.1021/np960180j |
| Molecular Weight | 972.862 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2374 |