| SpectraBase Compound ID | Dc8Pb0qQVFu |
|---|---|
| InChI | InChI=1S/C72H114N16O16S/c1-17-40(13)56-69(102)88-57(41(14)89)70(103)85-55(39(11)12)67(100)84-54(38(9)10)66(99)83-52(36(5)6)65(98)80-50(33-43-23-20-19-21-24-43)63(96)82-51(35(3)4)64(97)76-46(18-2)59(92)77-47(25-22-31-75-72(73)74)60(93)79-49(34-44-26-28-45(91)29-27-44)62(95)78-48(30-32-105-16)61(94)81-53(37(7)8)68(101)87-58(42(15)90)71(104)86-56/h18-21,23-24,26-29,35-42,47-58,89-91H,17,22,25,30-34H2,1-16H3,(H,76,97)(H,77,92)(H,78,95)(H,79,93)(H,80,98)(H,81,94)(H,82,96)(H,83,99)(H,84,100)(H,85,103)(H,86,104)(H,87,101)(H,88,102)(H4,73,74,75)/b46-18-/t40?,41?,42?,47-,48+,49-,50-,51-,52+,53+,54-,55-,56+,57-,58+/m0/s1 |
| InChIKey | QONBOMKYCJJCSL-XUIJDPPCSA-N |
| Mol Weight | 1491.9 g/mol |
| Molecular Formula | C72H114N16O16S |
| Exact Mass | 1490.831943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ya0Sk61loH |
|---|---|
| Name | TOLYBYSSIDIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H114N16O16S |
| InChI | InChI=1S/C72H114N16O16S/c1-17-40(13)56-69(102)88-57(41(14)89)70(103)85-55(39(11)12)67(100)84-54(38(9)10)66(99)83-52(36(5)6)65(98)80-50(33-43-23-20-19-21-24-43)63(96)82-51(35(3)4)64(97)76-46(18-2)59(92)77-47(25-22-31-75-72(73)74)60(93)79-49(34-44-26-28-45(91)29-27-44)62(95)78-48(30-32-105-16)61(94)81-53(37(7)8)68(101)87-58(42(15)90)71(104)86-56/h18-21,23-24,26-29,35-42,47-58,89-91H,17,22,25,30-34H2,1-16H3,(H,76,97)(H,77,92)(H,78,95)(H,79,93)(H,80,98)(H,81,94)(H,82,96)(H,83,99)(H,84,100)(H,85,103)(H,86,104)(H,87,101)(H,88,102)(H4,73,74,75)/b46-18-/t40?,41?,42?,47-,48+,49-,50-,51-,52+,53+,54-,55-,56+,57-,58+/m0/s1 |
| InChIKey | QONBOMKYCJJCSL-XUIJDPPCSA-N |
| Literature Reference Author | B.JAKI,O.ZERBE,J.HEILMANN,O.STICHER |
| Literature Reference Citation | J.NAT.PROD.,64,154(2001) |
| Literature Reference DOI | 10.1021/np000297e |
| Molecular Weight | 1491.855 g/mol |
| Solvent | CD3OH |
| Source File Reference | UWRU3793 |