| SpectraBase Compound ID | 2iFVyZV2uBW |
|---|---|
| InChI | InChI=1S/C63H110O24/c1-10-13-15-16-17-18-21-24-29-33-42(65)82-57-56(87-59-48(71)45(68)43(66)35(5)75-59)53(84-60-49(72)47(70)51(37(7)77-60)83-58(74)34(4)12-3)39(9)79-63(57)85-52-38(8)78-61-50(73)54(52)81-41(64)32-28-25-22-19-20-23-27-31-40(30-26-14-11-2)80-62-55(86-61)46(69)44(67)36(6)76-62/h34-40,43-57,59-63,66-73H,10-33H2,1-9H3/t34-,35-,36+,37-,38-,39-,40-,43-,44-,45+,46-,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57+,59-,60-,61-,62-,63-/m0/s1 |
| InChIKey | CTJYMDAYXVSMCU-MYRFBPFFSA-N |
| Mol Weight | 1251.5 g/mol |
| Molecular Formula | C63H110O24 |
| Exact Mass | 1250.738704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6ZrBSl1afeq |
|---|---|
| Name | PESCAPREIN_III |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H110O24 |
| InChI | InChI=1S/C63H110O24/c1-10-13-15-16-17-18-21-24-29-33-42(65)82-57-56(87-59-48(71)45(68)43(66)35(5)75-59)53(84-60-49(72)47(70)51(37(7)77-60)83-58(74)34(4)12-3)39(9)79-63(57)85-52-38(8)78-61-50(73)54(52)81-41(64)32-28-25-22-19-20-23-27-31-40(30-26-14-11-2)80-62-55(86-61)46(69)44(67)36(6)76-62/h34-40,43-57,59-63,66-73H,10-33H2,1-9H3/t34-,35-,36+,37-,38-,39-,40-,43-,44-,45+,46-,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57+,59-,60-,61-,62-,63-/m0/s1 |
| InChIKey | CTJYMDAYXVSMCU-MYRFBPFFSA-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 | 1251.552 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9033 |