![#13;PERACETYL-[1R-(1-ALPHA,4A-BETA,10A-ALPHA)]-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-ISOPROPYL-1-PHENANTHRENMETHYL-ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D](/api/spectrum/jiwwmx5XXA/structure.png?h=300&w=458 "#13;PERACETYL-[1R-(1-ALPHA,4A-BETA,10A-ALPHA)]-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-ISOPROPYL-1-PHENANTHRENMETHYL-ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D")
| SpectraBase Compound ID | 7TSRXLFKQ2m |
|---|---|
| InChI | InChI=1S/C58H80O26/c1-27(2)38-16-18-40-39(22-38)17-19-44-57(13,20-15-21-58(40,44)14)26-72-55-52(79-36(11)67)48(75-32(7)63)46(74-31(6)62)43(82-55)25-71-54-51(78-35(10)66)50(77-34(9)65)47(42(81-54)24-70-29(4)60)84-56-53(80-37(12)68)49(76-33(8)64)45(73-30(5)61)41(83-56)23-69-28(3)59/h16,18,22,27,41-56H,15,17,19-21,23-26H2,1-14H3/t41-,42-,43+,44?,45-,46+,47-,48-,49+,50+,51-,52+,53-,54-,55+,56-,57+,58-/m1/s1 |
| InChIKey | DVSDXJIQKGFNGR-KROZGAKDSA-N |
| Mol Weight | 1193.3 g/mol |
| Molecular Formula | C58H80O26 |
| Exact Mass | 1192.493783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | jiwwmx5XXA |
|---|---|
| Name | #13;PERACETYL-[1R-(1-ALPHA,4A-BETA,10A-ALPHA)]-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-ISOPROPYL-1-PHENANTHRENMETHYL-ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H80O26 |
| InChI | InChI=1S/C58H80O26/c1-27(2)38-16-18-40-39(22-38)17-19-44-57(13,20-15-21-58(40,44)14)26-72-55-52(79-36(11)67)48(75-32(7)63)46(74-31(6)62)43(82-55)25-71-54-51(78-35(10)66)50(77-34(9)65)47(42(81-54)24-70-29(4)60)84-56-53(80-37(12)68)49(76-33(8)64)45(73-30(5)61)41(83-56)23-69-28(3)59/h16,18,22,27,41-56H,15,17,19-21,23-26H2,1-14H3/t41-,42-,43+,44?,45-,46+,47-,48-,49+,50+,51-,52+,53-,54-,55+,56-,57+,58-/m1/s1 |
| InChIKey | DVSDXJIQKGFNGR-KROZGAKDSA-N |
| Literature Reference Author | E.HASLINGER,W.SEEBACHER,R.WEIS |
| Literature Reference Citation | MH.CHEM.,128,1009(1997) |
| Literature Reference DOI | 10.1007/BF00806967 |
| Molecular Weight | 1193.258 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK3286 |