| SpectraBase Compound ID | 6NuhskNBvM7 |
|---|---|
| InChI | InChI=1S/C55H91N13O16/c1-10-32(70)22-19-17-15-13-14-16-18-21-29(6)43-45(74)53(82)64-42(28(4)5)52(81)61-34(12-3)48(77)63-36(26-40(57)72)50(79)60-33(11-2)47(76)62-35(25-39(56)71)49(78)59-30(7)46(75)66-44(31(8)69)55(84)67(9)38(27-41(58)73)54(83)68-24-20-23-37(68)51(80)65-43/h11-12,28-32,35-38,42-45,69-70,74H,10,13-27H2,1-9H3,(H2,56,71)(H2,57,72)(H2,58,73)(H,59,78)(H,60,79)(H,61,81)(H,62,76)(H,63,77)(H,64,82)(H,65,80)(H,66,75)/b33-11+,34-12+/t29-,30+,31+,32?,35-,36-,37-,38-,42-,43+,44-,45+/m0/s1 |
| InChIKey | QBOXPOZQNMGPJN-MVNQSCNZSA-N |
| Mol Weight | 1190.4 g/mol |
| Molecular Formula | C55H91N13O16 |
| Exact Mass | 1189.670674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWIHtFFyYhS |
|---|---|
| Name | MINUTSSAMIDE_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H91N13O16 |
| InChI | InChI=1S/C55H91N13O16/c1-10-32(70)22-19-17-15-13-14-16-18-21-29(6)43-45(74)53(82)64-42(28(4)5)52(81)61-34(12-3)48(77)63-36(26-40(57)72)50(79)60-33(11-2)47(76)62-35(25-39(56)71)49(78)59-30(7)46(75)66-44(31(8)69)55(84)67(9)38(27-41(58)73)54(83)68-24-20-23-37(68)51(80)65-43/h11-12,28-32,35-38,42-45,69-70,74H,10,13-27H2,1-9H3,(H2,56,71)(H2,57,72)(H2,58,73)(H,59,78)(H,60,79)(H,61,81)(H,62,76)(H,63,77)(H,64,82)(H,65,80)(H,66,75)/b33-11+,34-12+/t29-,30+,31+,32?,35-,36-,37-,38-,42-,43+,44-,45+/m0/s1 |
| InChIKey | QBOXPOZQNMGPJN-MVNQSCNZSA-N |
| Literature Reference Author | H.S.KANG,A.KRUNIC,Q.SHEN,S.M.SWANSON,J.ORJALA |
| Literature Reference Citation | J.NAT.PROD.,74,1597(2011) |
| Literature Reference DOI | 10.1021/np2002226 |
| Molecular Weight | 1190.405 g/mol |
| Sample ID | 39034 |
| Solvent | DMSO-D6 |