| SpectraBase Compound ID | JvZoX6QjqC |
|---|---|
| InChI | InChI=1S/C70H109N13O23/c1-18-34(4)29-35(5)22-27-48(88)70(14,102)69(101)73-31-50(90)77-53(40(10)84)63(95)79-52(38(8)74-42(12)86)62(94)78-51(36(6)37(7)59(71)91)61(93)80-54-57(33(2)3)106-68(100)47-21-19-20-28-83(47)67(99)55(58(104-17)44-23-25-45(26-24-44)105-43(13)87)81-65(97)56(41(11)85)82(15)66(98)39(9)75-49(89)30-72-60(92)46(32-103-16)76-64(54)96/h22-27,29,33-34,36-41,46-48,51-58,84-85,88,102H,18-21,28,30-32H2,1-17H3,(H2,71,91)(H,72,92)(H,73,101)(H,74,86)(H,75,89)(H,76,96)(H,77,90)(H,78,94)(H,79,95)(H,80,93)(H,81,97)/b27-22-,35-29+/t34?,36-,37+,38-,39-,40+,41-,46+,47-,48?,51-,52-,53+,54+,55?,56+,57-,58?,70?/m0/s1 |
| InChIKey | UFPPPHOZPOXSKM-AZVVFWBYSA-N |
| Mol Weight | 1500.7 g/mol |
| Molecular Formula | C70H109N13O23 |
| Exact Mass | 1499.775927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BVtNKPWkO3E |
|---|---|
| Name | PAPUAMIDE-A-DIACETATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H109N13O23 |
| InChI | InChI=1S/C70H109N13O23/c1-18-34(4)29-35(5)22-27-48(88)70(14,102)69(101)73-31-50(90)77-53(40(10)84)63(95)79-52(38(8)74-42(12)86)62(94)78-51(36(6)37(7)59(71)91)61(93)80-54-57(33(2)3)106-68(100)47-21-19-20-28-83(47)67(99)55(58(104-17)44-23-25-45(26-24-44)105-43(13)87)81-65(97)56(41(11)85)82(15)66(98)39(9)75-49(89)30-72-60(92)46(32-103-16)76-64(54)96/h22-27,29,33-34,36-41,46-48,51-58,84-85,88,102H,18-21,28,30-32H2,1-17H3,(H2,71,91)(H,72,92)(H,73,101)(H,74,86)(H,75,89)(H,76,96)(H,77,90)(H,78,94)(H,79,95)(H,80,93)(H,81,97)/b27-22-,35-29+/t34?,36-,37+,38-,39-,40+,41-,46+,47-,48?,51-,52-,53+,54+,55?,56+,57-,58?,70?/m0/s1 |
| InChIKey | UFPPPHOZPOXSKM-AZVVFWBYSA-N |
| Literature Reference Author | P.W.FORD,K.R.GUSTAFSON,T.C.MCKEE,N.SHIGEMATSU,L.K.MAURIZI,L. K.PANNELL,D.E.WILLIA |
| Literature Reference Citation | J.AM.CHEM.SOC.,121,5899(1999) |
| Literature Reference DOI | 10.1021/ja990582o |
| Molecular Weight | 1500.709 g/mol |
| Solvent | CD3CN:H2O=4:1 |
| Source File Reference | UWRU11419 |