| SpectraBase Compound ID | HDPE851p5Dg |
|---|---|
| InChI | InChI=1S/C59H95N11O15/c1-11-15-16-17-37-27-47(75)62-45(31-72)55(81)63-40(14-4)59(85)70-30-39(74)28-46(70)56(82)64-41(22-23-71)52(78)66-44(26-36-18-20-38(73)21-19-36)53(79)65-43(25-33(7)8)54(80)68-50(35(10)13-3)58(84)69-49(34(9)12-2)57(83)67-42(24-32(5)6)51(77)60-29-48(76)61-37/h14,18-21,32-35,37,39,41-46,49-50,71-74H,11-13,15-17,22-31H2,1-10H3,(H,60,77)(H,61,76)(H,62,75)(H,63,81)(H,64,82)(H,65,79)(H,66,78)(H,67,83)(H,68,80)(H,69,84)/b40-14-/t34?,35?,37-,39-,41+,42+,43-,44+,45-,46+,49+,50+/m0/s1 |
| InChIKey | UCGPFEODLDUNCV-DHUAEXHOSA-N |
| Mol Weight | 1198.5 g/mol |
| Molecular Formula | C59H95N11O15 |
| Exact Mass | 1197.700911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4inDaHJM1Op |
|---|---|
| Name | LOBOCYCLAMIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H95N11O15 |
| InChI | InChI=1S/C59H95N11O15/c1-11-15-16-17-37-27-47(75)62-45(31-72)55(81)63-40(14-4)59(85)70-30-39(74)28-46(70)56(82)64-41(22-23-71)52(78)66-44(26-36-18-20-38(73)21-19-36)53(79)65-43(25-33(7)8)54(80)68-50(35(10)13-3)58(84)69-49(34(9)12-2)57(83)67-42(24-32(5)6)51(77)60-29-48(76)61-37/h14,18-21,32-35,37,39,41-46,49-50,71-74H,11-13,15-17,22-31H2,1-10H3,(H,60,77)(H,61,76)(H,62,75)(H,63,81)(H,64,82)(H,65,79)(H,66,78)(H,67,83)(H,68,80)(H,69,84)/b40-14-/t34?,35?,37-,39-,41+,42+,43-,44+,45-,46+,49+,50+/m0/s1 |
| InChIKey | UCGPFEODLDUNCV-DHUAEXHOSA-N |
| Literature Reference Author | J.B.MACMILLAN,M.A.ERNST-RUSSELL,J.S.D.ROPP,T.F.MOLINSKI |
| Literature Reference Citation | J.ORG.CHEM.,67,8210(2002) |
| Literature Reference DOI | 10.1021/jo0261909 |
| Molecular Weight | 1198.468 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS24736 |