| SpectraBase Compound ID | BkFcrF5rgbN |
|---|---|
| InChI | InChI=1S/C62H108O24/c1-9-12-15-16-18-22-28-33-42(65)82-57-56(86-58-48(71)45(68)43(66)34(4)74-58)53(83-59-49(72)47(70)51(36(6)76-59)80-40(63)31-25-14-11-3)38(8)78-62(57)84-52-37(7)77-60-50(73)54(52)81-41(64)32-27-23-20-17-19-21-26-30-39(29-24-13-10-2)79-61-55(85-60)46(69)44(67)35(5)75-61/h34-39,43-62,66-73H,9-33H2,1-8H3/t34-,35+,36-,37-,38-,39-,43-,44-,45+,46-,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57+,58-,59-,60-,61-,62-/m0/s1 |
| InChIKey | PIWVMZMILKEFJO-XCHASAEZSA-N |
| Mol Weight | 1237.5 g/mol |
| Molecular Formula | C62H108O24 |
| Exact Mass | 1236.723054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPhix8GFwYI |
|---|---|
| Name | PESCAPREIN_IX |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H108O24 |
| InChI | InChI=1S/C62H108O24/c1-9-12-15-16-18-22-28-33-42(65)82-57-56(86-58-48(71)45(68)43(66)34(4)74-58)53(83-59-49(72)47(70)51(36(6)76-59)80-40(63)31-25-14-11-3)38(8)78-62(57)84-52-37(7)77-60-50(73)54(52)81-41(64)32-27-23-20-17-19-21-26-30-39(29-24-13-10-2)79-61-55(85-60)46(69)44(67)35(5)75-61/h34-39,43-62,66-73H,9-33H2,1-8H3/t34-,35+,36-,37-,38-,39-,43-,44-,45+,46-,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57+,58-,59-,60-,61-,62-/m0/s1 |
| InChIKey | PIWVMZMILKEFJO-XCHASAEZSA-N |
| Literature Reference Author | C.ESCOBEDO-MARTINEZ,R.PEREDA-MIRANDA |
| Literature Reference Citation | J.NAT.PROD.,70,974(2007) |
| Literature Reference DOI | 10.1021/np070040h |
| Molecular Weight | 1237.525 g/mol |
| Sample ID | 30500 |
| Solvent | C5D5N |