| SpectraBase Compound ID | LeNmXWf0DzR |
|---|---|
| InChI | InChI=1S/C74H104N18O26/c1-6-35(2)16-9-7-8-10-22-55(96)84-45(25-39-32-79-43-20-14-12-17-40(39)43)68(111)87-47(28-54(78)95)69(112)89-50(31-61(105)106)71(114)92-63-38(5)118-74(117)51(26-52(93)41-18-11-13-19-42(41)76)90-73(116)62(36(3)24-58(99)100)91-70(113)46(27-53(77)94)85-57(98)33-80-65(108)48(29-59(101)102)86-64(107)37(4)82-67(110)49(30-60(103)104)88-66(109)44(21-15-23-75)83-56(97)34-81-72(63)115/h11-14,17-20,32,35-38,44-51,62-63,79H,6-10,15-16,21-31,33-34,75-76H2,1-5H3,(H2,77,94)(H2,78,95)(H,80,108)(H,81,115)(H,82,110)(H,83,97)(H,84,96)(H,85,98)(H,86,107)(H,87,111)(H,88,109)(H,89,112)(H,90,116)(H,91,113)(H,92,114)(H,99,100)(H,101,102)(H,103,104)(H,105,106)/t35?,36?,37-,38+,44+,45-,46-,47+,48+,49+,50-,51-,62+,63+/m1/s1 |
| InChIKey | YWQYYJJPLVGCSY-YMKPFUHASA-N |
| Mol Weight | 1661.7 g/mol |
| Molecular Formula | C74H104N18O26 |
| Exact Mass | 1660.736916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HbCU2VwQpyZ |
|---|---|
| Name | A21978C_1-(D-ASN-11);ANTEISO-UNDECANOYL-L-TRYPTOPHANYL-D-ASPARAGINYL-L-ASPARTYL-L-THREONYLGLYCYL-L-ORNITHYL-L-ASPARTYL-D-ALANYL-L- |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H104N18O26 |
| InChI | InChI=1S/C74H104N18O26/c1-6-35(2)16-9-7-8-10-22-55(96)84-45(25-39-32-79-43-20-14-12-17-40(39)43)68(111)87-47(28-54(78)95)69(112)89-50(31-61(105)106)71(114)92-63-38(5)118-74(117)51(26-52(93)41-18-11-13-19-42(41)76)90-73(116)62(36(3)24-58(99)100)91-70(113)46(27-53(77)94)85-57(98)33-80-65(108)48(29-59(101)102)86-64(107)37(4)82-67(110)49(30-60(103)104)88-66(109)44(21-15-23-75)83-56(97)34-81-72(63)115/h11-14,17-20,32,35-38,44-51,62-63,79H,6-10,15-16,21-31,33-34,75-76H2,1-5H3,(H2,77,94)(H2,78,95)(H,80,108)(H,81,115)(H,82,110)(H,83,97)(H,84,96)(H,85,98)(H,86,107)(H,87,111)(H,88,109)(H,89,112)(H,90,116)(H,91,113)(H,92,114)(H,99,100)(H,101,102)(H,103,104)(H,105,106)/t35?,36?,37-,38+,44+,45-,46-,47+,48+,49+,50-,51-,62+,63+/m1/s1 |
| InChIKey | YWQYYJJPLVGCSY-YMKPFUHASA-N |
| Literature Reference Author | J.Q.GU,K.T.NGUYEN,C.GANDHI,V.RAJGARHIA,R.H.BALTZ,P.BRIAN,M.C HU |
| Literature Reference Citation | J.NAT.PROD.,70,233(2007) |
| Literature Reference DOI | 10.1021/np0605135 |
| Molecular Weight | 1661.745 g/mol |
| Sample ID | 29632 |
| Solvent | DMSO-D6 |