| SpectraBase Compound ID | 4wcG6zqKCl3 |
|---|---|
| InChI | InChI=1S/C28H46O9/c1-9-10-21(32)37-27(7)12-11-20(34-16(4)29)26(6,33)14-19-24-23(25(27)35-19)22(15(2)3)18(31)13-28(24,8)36-17(5)30/h15,18-20,22-25,31,33H,9-14H2,1-8H3/t18-,19-,20+,22+,23-,24-,25-,26+,27-,28-/m1/s1 |
| InChIKey | YCZBRNLJJMJIRM-HFIFSCEGSA-N |
| Mol Weight | 526.7 g/mol |
| Molecular Formula | C28H46O9 |
| Exact Mass | 526.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CTkXUOIh7ZZ |
|---|---|
| Name | SIMPLEXIN_H |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46O9 |
| InChI | InChI=1S/C28H46O9/c1-9-10-21(32)37-27(7)12-11-20(34-16(4)29)26(6,33)14-19-24-23(25(27)35-19)22(15(2)3)18(31)13-28(24,8)36-17(5)30/h15,18-20,22-25,31,33H,9-14H2,1-8H3/t18-,19-,20+,22+,23-,24-,25-,26+,27-,28-/m1/s1 |
| InChIKey | YCZBRNLJJMJIRM-HFIFSCEGSA-N |
| Literature Reference Author | S.L.WU,J.H.SU,Z.H.WEN,C.H.HSU,B.W.CHEN,C.F.DAI,Y.H.KUO,J.H.S HEU |
| Literature Reference Citation | J.NAT.PROD.,72,994(2009) |
| Literature Reference DOI | 10.1021/np900064a |
| Molecular Weight | 526.668 g/mol |
| Sample ID | 32672 |
| Solvent | CDCl3 |