| SpectraBase Compound ID | 2IXjXDf0Gj0 |
|---|---|
| InChI | InChI=1S/C57H100O20/c1-9-12-14-15-16-17-20-23-28-32-40(59)73-52-45(64)48(75-54-44(63)43(62)47(35(6)68-54)74-53(66)33(4)11-3)36(7)70-57(52)76-49-37(8)69-55-46(65)50(49)72-39(58)31-27-24-21-18-19-22-26-30-38(29-25-13-10-2)71-56-51(77-55)42(61)41(60)34(5)67-56/h33-38,41-52,54-57,60-65H,9-32H2,1-8H3/t33?,34-,35-,36+,37+,38+,41+,42+,43-,44+,45-,46-,47-,48+,49+,50+,51-,52-,54-,55+,56+,57+/m1/s1 |
| InChIKey | CGHNLIHNBHVQMQ-HQOKCQFDSA-N |
| Mol Weight | 1105.4 g/mol |
| Molecular Formula | C57H100O20 |
| Exact Mass | 1104.680796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xicNP2YzdL |
|---|---|
| Name | PESCAPREIN_V |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H100O20 |
| InChI | InChI=1S/C57H100O20/c1-9-12-14-15-16-17-20-23-28-32-40(59)73-52-45(64)48(75-54-44(63)43(62)47(35(6)68-54)74-53(66)33(4)11-3)36(7)70-57(52)76-49-37(8)69-55-46(65)50(49)72-39(58)31-27-24-21-18-19-22-26-30-38(29-25-13-10-2)71-56-51(77-55)42(61)41(60)34(5)67-56/h33-38,41-52,54-57,60-65H,9-32H2,1-8H3/t33?,34-,35-,36+,37+,38+,41+,42+,43-,44+,45-,46-,47-,48+,49+,50+,51-,52-,54-,55+,56+,57+/m1/s1 |
| InChIKey | CGHNLIHNBHVQMQ-HQOKCQFDSA-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 | 1105.409 g/mol |
| Sample ID | 30496 |
| Solvent | C5D5N |