| SpectraBase Compound ID | BMfBECw1YWH |
|---|---|
| InChI | InChI=1S/C58H102O23/c1-8-10-12-13-14-15-18-21-26-30-38(60)77-53-52(81-55-46(68)43(65)40(62)32(4)71-55)49(78-54-45(67)42(64)39(61)31(3)70-54)35(7)74-58(53)79-48-34(6)73-56-47(69)50(48)76-37(59)29-25-22-19-16-17-20-24-28-36(27-23-11-9-2)75-57-51(80-56)44(66)41(63)33(5)72-57/h31-36,39-58,61-69H,8-30H2,1-7H3/t31-,32-,33+,34-,35-,36-,39-,40-,41-,42+,43+,44-,45+,46+,47+,48-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58-/m0/s1 |
| InChIKey | NNQOYMNQPOXGDT-OIAOIZBASA-N |
| Mol Weight | 1167.4 g/mol |
| Molecular Formula | C58H102O23 |
| Exact Mass | 1166.68119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUtUed4YvYH |
|---|---|
| Name | PESCAPREIN_I |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H102O23 |
| InChI | InChI=1S/C58H102O23/c1-8-10-12-13-14-15-18-21-26-30-38(60)77-53-52(81-55-46(68)43(65)40(62)32(4)71-55)49(78-54-45(67)42(64)39(61)31(3)70-54)35(7)74-58(53)79-48-34(6)73-56-47(69)50(48)76-37(59)29-25-22-19-16-17-20-24-28-36(27-23-11-9-2)75-57-51(80-56)44(66)41(63)33(5)72-57/h31-36,39-58,61-69H,8-30H2,1-7H3/t31-,32-,33+,34-,35-,36-,39-,40-,41-,42+,43+,44-,45+,46+,47+,48-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58-/m0/s1 |
| InChIKey | NNQOYMNQPOXGDT-OIAOIZBASA-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 | 1167.434 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9031 |