| SpectraBase Compound ID | 3DTXZCAz2P4 |
|---|---|
| InChI | InChI=1S/C49H60O27/c1-12-32-33(34(46(60)61-11)19-65-47(32)76-49-45(73-30(10)58)43(71-28(8)56)40(68-25(5)53)37(75-49)20-63-22(2)50)18-39(59)64-21-38-41(69-26(6)54)42(70-27(7)55)44(72-29(9)57)48(74-38)62-16-15-31-13-14-35(66-23(3)51)36(17-31)67-24(4)52/h12-14,17,19,33,37-38,40-45,47-49H,15-16,18,20-21H2,1-11H3/b32-12-/t33-,37-,38+,40-,41+,42-,43+,44+,45-,47-,48+,49+/m1/s1 |
| InChIKey | GTPXBDAXLIEHHV-GDPUDCAOSA-N |
| Mol Weight | 1081.0 g/mol |
| Molecular Formula | C49H60O27 |
| Exact Mass | 1080.332197 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1pobUTwMwP5 |
|---|---|
| Name | NEONUEZHENIDE-NONAACETATE |
| Compound Number | 164 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H60O27 |
| InChI | InChI=1S/C49H60O27/c1-12-32-33(34(46(60)61-11)19-65-47(32)76-49-45(73-30(10)58)43(71-28(8)56)40(68-25(5)53)37(75-49)20-63-22(2)50)18-39(59)64-21-38-41(69-26(6)54)42(70-27(7)55)44(72-29(9)57)48(74-38)62-16-15-31-13-14-35(66-23(3)51)36(17-31)67-24(4)52/h12-14,17,19,33,37-38,40-45,47-49H,15-16,18,20-21H2,1-11H3/b32-12-/t33-,37-,38+,40-,41+,42-,43+,44+,45-,47-,48+,49+/m1/s1 |
| InChIKey | GTPXBDAXLIEHHV-GDPUDCAOSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 1080.999 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4535 |