| SpectraBase Compound ID | HNaYAoS8BfF |
|---|---|
| InChI | InChI=1S/C60H104O25/c1-8-10-12-13-14-15-18-21-25-29-39(63)80-53-47(71)51(83-60-55(46(70)49(33(4)74-60)77-36(7)62)84-56-45(69)43(67)42(66)38(31-61)79-56)34(5)75-58(53)82-50-35(6)76-59-54(48(50)72)81-40(64)30-26-22-19-16-17-20-24-28-37(27-23-11-9-2)78-57-52(85-59)44(68)41(65)32(3)73-57/h32-35,37-38,41-61,65-72H,8-31H2,1-7H3/t32-,33-,34+,35+,37?,38-,41-,42-,43+,44+,45-,46+,47-,48-,49-,50+,51+,52-,53-,54-,55+,56+,57+,58+,59+,60-/m1/s1 |
| InChIKey | TUDUJRAYAQOSHP-TYHUUSAHSA-N |
| Mol Weight | 1225.5 g/mol |
| Molecular Formula | C60H104O25 |
| Exact Mass | 1224.686669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYQFHhICQR6 |
|---|---|
| Name | MURUCIN_1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H104O25 |
| InChI | InChI=1S/C60H104O25/c1-8-10-12-13-14-15-18-21-25-29-39(63)80-53-47(71)51(83-60-55(46(70)49(33(4)74-60)77-36(7)62)84-56-45(69)43(67)42(66)38(31-61)79-56)34(5)75-58(53)82-50-35(6)76-59-54(48(50)72)81-40(64)30-26-22-19-16-17-20-24-28-37(27-23-11-9-2)78-57-52(85-59)44(68)41(65)32(3)73-57/h32-35,37-38,41-61,65-72H,8-31H2,1-7H3/t32-,33-,34+,35+,37?,38-,41-,42-,43+,44+,45-,46+,47-,48-,49-,50+,51+,52-,53-,54-,55+,56+,57+,58+,59+,60-/m1/s1 |
| InChIKey | TUDUJRAYAQOSHP-TYHUUSAHSA-N |
| Literature Reference Author | I.LEON,R.G.ENRIQUEZ,D.A.NIETO,D.ALONSO,W.F.REYNOLDS,E.ARANDA ,J.VILLA |
| Literature Reference Citation | J.NAT.PROD.,68,1141(2005) |
| Literature Reference DOI | 10.1021/np050075m |
| Molecular Weight | 1225.471 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ12167 |