| SpectraBase Compound ID | 7sPmVNe44XX |
|---|---|
| InChI | InChI=1S/C77H126N14O17/c1-19-47(17)63(74(104)90-64-48(18)108-77(107)62(46(15)16)88-65(95)50(20-2)80-68(98)53(39-49-30-24-22-25-31-49)82-70(100)57(41(5)6)84-72(102)59(43(9)10)86-75(64)105)89-66(96)51(32-27-37-78)81-69(99)54-33-28-38-91(54)76(106)61(45(13)14)87-73(103)60(44(11)12)85-71(101)58(42(7)8)83-67(97)52(35-36-56(93)94)79-55(92)34-26-21-23-29-40(3)4/h20,22,24-25,30-31,40-48,51-54,57-64H,19,21,23,26-29,32-39,78H2,1-18H3,(H,79,92)(H,80,98)(H,81,99)(H,82,100)(H,83,97)(H,84,102)(H,85,101)(H,86,105)(H,87,103)(H,88,95)(H,89,96)(H,90,104)(H,93,94)/b50-20-/t47?,48?,51-,52+,53+,54-,57?,58?,59?,60?,61?,62?,63-,64-/m1/s1 |
| InChIKey | NEPVMCVSNSCONF-VKGMIRQRSA-N |
| Mol Weight | 1519.9 g/mol |
| Molecular Formula | C77H126N14O17 |
| Exact Mass | 1518.942539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTww7MtkaMW |
|---|---|
| Name | KAHALALIDE_R |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H126N14O17 |
| InChI | InChI=1S/C77H126N14O17/c1-19-47(17)63(74(104)90-64-48(18)108-77(107)62(46(15)16)88-65(95)50(20-2)80-68(98)53(39-49-30-24-22-25-31-49)82-70(100)57(41(5)6)84-72(102)59(43(9)10)86-75(64)105)89-66(96)51(32-27-37-78)81-69(99)54-33-28-38-91(54)76(106)61(45(13)14)87-73(103)60(44(11)12)85-71(101)58(42(7)8)83-67(97)52(35-36-56(93)94)79-55(92)34-26-21-23-29-40(3)4/h20,22,24-25,30-31,40-48,51-54,57-64H,19,21,23,26-29,32-39,78H2,1-18H3,(H,79,92)(H,80,98)(H,81,99)(H,82,100)(H,83,97)(H,84,102)(H,85,101)(H,86,105)(H,87,103)(H,88,95)(H,89,96)(H,90,104)(H,93,94)/b50-20-/t47?,48?,51-,52+,53+,54-,57?,58?,59?,60?,61?,62?,63-,64-/m1/s1 |
| InChIKey | NEPVMCVSNSCONF-VKGMIRQRSA-N |
| Literature Reference Author | M.ASHOUR,R.A.EDRADA,R.EBEL,V.WRAY,W.WAETJEN,K.PADMAKUMAR,W.E .G.MUELLER,W.H.LIN,P |
| Literature Reference Citation | J.NAT.PROD.,69,1547(2006) |
| Literature Reference DOI | 10.1021/np060172v |
| Molecular Weight | 1519.931 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ17149 |