| SpectraBase Compound ID | BvkGTQschDB |
|---|---|
| InChI | InChI=1S/C77H125N19O19/c1-39(2)34-50(88-67(111)73(11,12)93-68(112)75(15,16)91-63(107)52(83-43(8)98)36-44-37-81-46-25-22-21-24-45(44)46)60(104)89-57(41(5)6)65(109)85-49(29-32-56(80)101)61(105)90-74(13,14)69(113)95-76(17,18)70(114)94-72(9,10)66(110)87-48(28-31-55(79)100)59(103)86-51(35-40(3)4)62(106)92-77(19,20)71(115)96-33-23-26-53(96)64(108)84-47(27-30-54(78)99)58(102)82-42(7)38-97/h21-22,24-25,37,39-42,47-53,57,81,97H,23,26-36,38H2,1-20H3,(H2,78,99)(H2,79,100)(H2,80,101)(H,82,102)(H,83,98)(H,84,108)(H,85,109)(H,86,103)(H,87,110)(H,88,111)(H,89,104)(H,90,105)(H,91,107)(H,92,106)(H,93,112)(H,94,114)(H,95,113)/t42-,47-,48+,49-,50-,51-,52-,53-,57-/m0/s1 |
| InChIKey | IPCNUNZLKUHWAZ-WPYFHMFXSA-N |
| Mol Weight | 1621.0 g/mol |
| Molecular Formula | C77H125N19O19 |
| Exact Mass | 1619.939913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Ihz4tDkYU4 |
|---|---|
| Name | CHRYSAIBOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H125N19O19 |
| InChI | InChI=1S/C77H125N19O19/c1-39(2)34-50(88-67(111)73(11,12)93-68(112)75(15,16)91-63(107)52(83-43(8)98)36-44-37-81-46-25-22-21-24-45(44)46)60(104)89-57(41(5)6)65(109)85-49(29-32-56(80)101)61(105)90-74(13,14)69(113)95-76(17,18)70(114)94-72(9,10)66(110)87-48(28-31-55(79)100)59(103)86-51(35-40(3)4)62(106)92-77(19,20)71(115)96-33-23-26-53(96)64(108)84-47(27-30-54(78)99)58(102)82-42(7)38-97/h21-22,24-25,37,39-42,47-53,57,81,97H,23,26-36,38H2,1-20H3,(H2,78,99)(H2,79,100)(H2,80,101)(H,82,102)(H,83,98)(H,84,108)(H,85,109)(H,86,103)(H,87,110)(H,88,111)(H,89,104)(H,90,105)(H,91,107)(H,92,106)(H,93,112)(H,94,114)(H,95,113)/t42-,47-,48+,49-,50-,51-,52-,53-,57-/m0/s1 |
| InChIKey | IPCNUNZLKUHWAZ-WPYFHMFXSA-N |
| Literature Reference Author | M.I.MITOVA,A.C.MURPHY,G.LANG,J.W.BLUNT,A.L.J.COLE,G.ELLIS,M. H.G.MUNRO |
| Literature Reference Citation | J.NAT.PROD.,71,1600(2008) |
| Literature Reference DOI | 10.1021/np800221b |
| Molecular Weight | 1620.955 g/mol |
| Sample ID | 29059 |
| Solvent | CD3OD |