| SpectraBase Compound ID | HeRPcDpLTmD |
|---|---|
| InChI | InChI=1S/C52H76O20/c1-23-17-41(65-28(6)55)52(61-21-23)24(2)42-39(72-52)20-36-34-19-38(37-18-33(63-26(4)53)13-15-50(37,11)35(34)14-16-51(36,42)12)70-49-47(69-32(10)59)45(43(25(3)62-49)66-29(7)56)71-48-46(68-31(9)58)44(67-30(8)57)40(22-60-48)64-27(5)54/h23-25,33-49H,13-22H2,1-12H3/t23-,24-,25+,33-,34?,35-,36-,37+,38-,39-,40-,41+,42-,43?,44+,45+,46-,47-,48+,49+,50+,51-,52-/m0/s1 |
| InChIKey | ZVDCYUMGEBJSQW-IJYCQHOHSA-N |
| Mol Weight | 1021.2 g/mol |
| Molecular Formula | C52H76O20 |
| Exact Mass | 1020.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKQ297EeU9N |
|---|---|
| Name | ZVDCYUMGEBJSQW-IJYCQHOHSA-N |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H76O20 |
| InChI | InChI=1S/C52H76O20/c1-23-17-41(65-28(6)55)52(61-21-23)24(2)42-39(72-52)20-36-34-19-38(37-18-33(63-26(4)53)13-15-50(37,11)35(34)14-16-51(36,42)12)70-49-47(69-32(10)59)45(43(25(3)62-49)66-29(7)56)71-48-46(68-31(9)58)44(67-30(8)57)40(22-60-48)64-27(5)54/h23-25,33-49H,13-22H2,1-12H3/t23-,24-,25+,33-,34?,35-,36-,37+,38-,39-,40-,41+,42-,43?,44+,45+,46-,47-,48+,49+,50+,51-,52-/m0/s1 |
| InChIKey | ZVDCYUMGEBJSQW-IJYCQHOHSA-N |
| Literature Reference Author | M.GONZALEZ,A.ZAMILPA,S.MARQUINA,V.NAVARRO,L.ALVAREZ |
| Literature Reference Citation | J.NAT.PROD.,67,938(2004) |
| Literature Reference DOI | 10.1021/np0305019 |
| Molecular Weight | 1021.163 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ7375 |