| SpectraBase Compound ID | AcUmgWIn3bs |
|---|---|
| InChI | InChI=1S/C49H66O26/c1-13-33-34(35(46(60)61-12)20-65-47(33)75-49-44(71-32(11)57)42(69-30(9)55)40(67-28(7)53)37(73-49)22-64-26(5)51)19-38(58)62-18-17-23(2)15-14-16-24(3)45(59)74-48-43(70-31(10)56)41(68-29(8)54)39(66-27(6)52)36(72-48)21-63-25(4)50/h13,16,20,23,34,36-37,39-44,47-49H,14-15,17-19,21-22H2,1-12H3/b24-16+,33-13-/t23?,34-,36+,37-,39+,40-,41-,42+,43+,44-,47-,48-,49+/m1/s1 |
| InChIKey | UXCQAKBHETZDDB-IDOQSEJNSA-N |
| Mol Weight | 1071.0 g/mol |
| Molecular Formula | C49H66O26 |
| Exact Mass | 1070.384232 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C8uNKEaz6QR |
|---|---|
| Name | JASPOFOIAMOSIDE-A-OCTAACEATATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H66O26 |
| InChI | InChI=1S/C49H66O26/c1-13-33-34(35(46(60)61-12)20-65-47(33)75-49-44(71-32(11)57)42(69-30(9)55)40(67-28(7)53)37(73-49)22-64-26(5)51)19-38(58)62-18-17-23(2)15-14-16-24(3)45(59)74-48-43(70-31(10)56)41(68-29(8)54)39(66-27(6)52)36(72-48)21-63-25(4)50/h13,16,20,23,34,36-37,39-44,47-49H,14-15,17-19,21-22H2,1-12H3/b24-16+,33-13-/t23?,34-,36+,37-,39+,40-,41-,42+,43+,44-,47-,48-,49+/m1/s1 |
| InChIKey | UXCQAKBHETZDDB-IDOQSEJNSA-N |
| Literature Reference Author | T.TANAHASHI,Y.TAKENAKA,N.NAGAKURA |
| Literature Reference Citation | J.NAT.PROD.,60,514(1997) |
| Literature Reference DOI | 10.1021/np9700376 |
| Molecular Weight | 1071.047 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ65 |