| SpectraBase Compound ID | 3f0IkJVVvfZ |
|---|---|
| InChI | InChI=1S/C49H60O27/c1-23(50)62-18-16-34-35(19-39(59)63-17-15-32-11-13-33(14-12-32)67-26(4)53)36(46(60)61-10)20-66-47(34)76-49-45(43(71-30(8)57)41(69-28(6)55)38(74-49)22-65-25(3)52)75-48-44(72-31(9)58)42(70-29(7)56)40(68-27(5)54)37(73-48)21-64-24(2)51/h11-14,16,20,35,37-38,40-45,47-49H,15,17-19,21-22H2,1-10H3/b34-16+/t35-,37-,38-,40-,41-,42+,43+,44-,45-,47-,48+,49+/m0/s1 |
| InChIKey | QZUUHUZVRMROHA-NUXZNRQOSA-N |
| Mol Weight | 1081.0 g/mol |
| Molecular Formula | C49H60O27 |
| Exact Mass | 1080.332197 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7rc4b3DZLoG |
|---|---|
| Name | HIIRAGILIDE-NONAACETATE |
| Compound Number | 162 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H60O27 |
| InChI | InChI=1S/C49H60O27/c1-23(50)62-18-16-34-35(19-39(59)63-17-15-32-11-13-33(14-12-32)67-26(4)53)36(46(60)61-10)20-66-47(34)76-49-45(43(71-30(8)57)41(69-28(6)55)38(74-49)22-65-25(3)52)75-48-44(72-31(9)58)42(70-29(7)56)40(68-27(5)54)37(73-48)21-64-24(2)51/h11-14,16,20,35,37-38,40-45,47-49H,15,17-19,21-22H2,1-10H3/b34-16+/t35-,37-,38-,40-,41-,42+,43+,44-,45-,47-,48+,49+/m0/s1 |
| InChIKey | QZUUHUZVRMROHA-NUXZNRQOSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 1080.999 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4533 |