| SpectraBase Compound ID | 8eO8u95fJWI |
|---|---|
| InChI | InChI=1S/C62H108O24/c1-10-12-14-15-16-17-20-23-28-32-41(64)81-56-55(86-58-47(70)44(67)42(65)34(5)74-58)52(83-59-48(71)46(69)50(36(7)76-59)82-57(73)33(3)4)38(9)78-62(56)84-51-37(8)77-60-49(72)53(51)80-40(63)31-27-24-21-18-19-22-26-30-39(29-25-13-11-2)79-61-54(85-60)45(68)43(66)35(6)75-61/h33-39,42-56,58-62,65-72H,10-32H2,1-9H3/t34-,35+,36-,37-,38-,39-,42-,43-,44+,45-,46-,47+,48+,49+,50-,51-,52-,53-,54+,55+,56+,58-,59-,60-,61-,62-/m0/s1 |
| InChIKey | PNRJNPJRTTWEBB-JYPGLRBKSA-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 | F7BIHFiheER |
|---|---|
| Name | PESCAPREIN_II |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H108O24 |
| InChI | InChI=1S/C62H108O24/c1-10-12-14-15-16-17-20-23-28-32-41(64)81-56-55(86-58-47(70)44(67)42(65)34(5)74-58)52(83-59-48(71)46(69)50(36(7)76-59)82-57(73)33(3)4)38(9)78-62(56)84-51-37(8)77-60-49(72)53(51)80-40(63)31-27-24-21-18-19-22-26-30-39(29-25-13-11-2)79-61-54(85-60)45(68)43(66)35(6)75-61/h33-39,42-56,58-62,65-72H,10-32H2,1-9H3/t34-,35+,36-,37-,38-,39-,42-,43-,44+,45-,46-,47+,48+,49+,50-,51-,52-,53-,54+,55+,56+,58-,59-,60-,61-,62-/m0/s1 |
| InChIKey | PNRJNPJRTTWEBB-JYPGLRBKSA-N |
| Literature Reference Author | R.PEREDA-MIRANDA,E.ESCALANTE-SANCHEZ,C.ESCOBEDO-MARTINEZ |
| Literature Reference Citation | J.NAT.PROD.,68,226(2005) |
| Literature Reference DOI | 10.1021/np0496340 |
| Molecular Weight | 1237.525 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9032 |