| SpectraBase Compound ID | 9zeevhns1t |
|---|---|
| InChI | InChI=1S/C54H88O18/c1-13-37-33(9)71-53(63,25-41(37)67-45-23-39(55)49(61)35(11)65-45)31(7)47(59)29(5)51-27(3)19-15-17-22-44(58)70-52(28(4)20-16-18-21-43(57)69-51)30(6)48(60)32(8)54(64)26-42(38(14-2)34(10)72-54)68-46-24-40(56)50(62)36(12)66-46/h15-22,27-42,45-52,55-56,59-64H,13-14,23-26H2,1-12H3/b19-15+,20-16+,21-18+,22-17+/t27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,45-,46-,47+,48+,49+,50+,51-,52-,53-,54-/m0/s1 |
| InChIKey | OSERMIPXNLXAPD-QLXQCRSTSA-N |
| Mol Weight | 1025.3 g/mol |
| Molecular Formula | C54H88O18 |
| Exact Mass | 1024.597066 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GbfHfLyCs4k |
|---|---|
| Name | ELAOPHYLIN |
| CAS Registry Number | 37318-06-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O18 |
| InChI | InChI=1S/C54H88O18/c1-13-37-33(9)71-53(63,25-41(37)67-45-23-39(55)49(61)35(11)65-45)31(7)47(59)29(5)51-27(3)19-15-17-22-44(58)70-52(28(4)20-16-18-21-43(57)69-51)30(6)48(60)32(8)54(64)26-42(38(14-2)34(10)72-54)68-46-24-40(56)50(62)36(12)66-46/h15-22,27-42,45-52,55-56,59-64H,13-14,23-26H2,1-12H3/b19-15+,20-16+,21-18+,22-17+/t27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,45-,46-,47+,48+,49+,50+,51-,52-,53-,54-/m0/s1 |
| InChIKey | OSERMIPXNLXAPD-QLXQCRSTSA-N |
| Literature Reference Author | M.GERLITZ,P.HAMMANN,R.THIERICKE,J.ROHR |
| Literature Reference Citation | J.ORG.CHEM.,57,4030(1992) |
| Literature Reference DOI | 10.1021/jo00040a058 |
| Molecular Weight | 1025.282 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS1330 |