| SpectraBase Compound ID | 2kuFxNfvimy |
|---|---|
| InChI | InChI=1S/C77H126N14O18/c1-19-46(17)63(74(105)90-64-47(18)109-77(108)62(45(15)16)88-65(96)50(20-2)80-68(99)53(38-48-27-22-21-23-28-48)82-70(101)57(40(5)6)84-72(103)59(42(9)10)86-75(64)106)89-66(97)51(30-25-35-78)81-69(100)54-31-26-36-91(54)76(107)61(44(13)14)87-73(104)60(43(11)12)85-71(102)58(41(7)8)83-67(98)52(33-34-56(94)95)79-55(93)32-24-29-49(92)37-39(3)4/h20-23,27-28,39-47,49,51-54,57-64,92H,19,24-26,29-38,78H2,1-18H3,(H,79,93)(H,80,99)(H,81,100)(H,82,101)(H,83,98)(H,84,103)(H,85,102)(H,86,106)(H,87,104)(H,88,96)(H,89,97)(H,90,105)(H,94,95)/b50-20-/t46?,47?,49?,51-,52+,53+,54-,57?,58?,59?,60?,61?,62?,63-,64-/m1/s1 |
| InChIKey | TUZWUQHLKSKXCS-KNJQAWMTSA-N |
| Mol Weight | 1535.9 g/mol |
| Molecular Formula | C77H126N14O18 |
| Exact Mass | 1534.937453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HIofvrSIyqM |
|---|---|
| Name | KAHALALIDE_S |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H126N14O18 |
| InChI | InChI=1S/C77H126N14O18/c1-19-46(17)63(74(105)90-64-47(18)109-77(108)62(45(15)16)88-65(96)50(20-2)80-68(99)53(38-48-27-22-21-23-28-48)82-70(101)57(40(5)6)84-72(103)59(42(9)10)86-75(64)106)89-66(97)51(30-25-35-78)81-69(100)54-31-26-36-91(54)76(107)61(44(13)14)87-73(104)60(43(11)12)85-71(102)58(41(7)8)83-67(98)52(33-34-56(94)95)79-55(93)32-24-29-49(92)37-39(3)4/h20-23,27-28,39-47,49,51-54,57-64,92H,19,24-26,29-38,78H2,1-18H3,(H,79,93)(H,80,99)(H,81,100)(H,82,101)(H,83,98)(H,84,103)(H,85,102)(H,86,106)(H,87,104)(H,88,96)(H,89,97)(H,90,105)(H,94,95)/b50-20-/t46?,47?,49?,51-,52+,53+,54-,57?,58?,59?,60?,61?,62?,63-,64-/m1/s1 |
| InChIKey | TUZWUQHLKSKXCS-KNJQAWMTSA-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 | 1535.930 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ17150 |