| SpectraBase Compound ID | DEEud6niCnG |
|---|---|
| InChI | InChI=1S/C57H100O20/c1-9-12-14-15-16-17-20-23-28-32-40(59)73-51-43(62)41(60)35(6)68-57(51)76-48-37(8)69-54(46(65)50(48)74-53(66)33(4)11-3)75-47-36(7)70-55-45(64)49(47)72-39(58)31-27-24-21-18-19-22-26-30-38(29-25-13-10-2)71-56-52(77-55)44(63)42(61)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 | DRHGBIWTDGSGGH-YWEQHULLSA-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 | 9ik2QV6HPIL |
|---|---|
| Name | PESCAPREIN_VI |
| Compound Number | 3 |
| 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)73-51-43(62)41(60)35(6)68-57(51)76-48-37(8)69-54(46(65)50(48)74-53(66)33(4)11-3)75-47-36(7)70-55-45(64)49(47)72-39(58)31-27-24-21-18-19-22-26-30-38(29-25-13-10-2)71-56-52(77-55)44(63)42(61)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 | DRHGBIWTDGSGGH-YWEQHULLSA-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 | 30497 |
| Solvent | C5D5N |