| SpectraBase Compound ID | EJq4VmhHm3g |
|---|---|
| InChI | InChI=1S/C58H80O27/c1-26-44(47(70-11)50(79-32(7)65)54(74-26)82-37-14-18-57(25-59)36(21-37)12-13-40-39(57)15-17-56(10)38(16-19-58(40,56)69)35-20-43(68)72-22-35)85-55-52(81-34(9)67)49(78-31(6)64)46(76-29(4)62)42(84-55)24-73-53-51(80-33(8)66)48(77-30(5)63)45(75-28(3)61)41(83-53)23-71-27(2)60/h20,25-26,36-42,44-55,69H,12-19,21-24H2,1-11H3/t26?,36-,37+,38?,39-,40-,41-,42+,44?,45-,46?,47?,48+,49-,50?,51-,52+,53?,54?,55+,56-,57+,58+/m0/s1 |
| InChIKey | BODNAXGZMZECKO-AGESCPGSSA-N |
| Mol Weight | 1209.3 g/mol |
| Molecular Formula | C58H80O27 |
| Exact Mass | 1208.488697 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8Y0sbhHjuR |
|---|---|
| Name | Peracetylthevetin-A |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C58H80O27 |
| InChI | InChI=1S/C58H80O27/c1-26-44(47(70-11)50(79-32(7)65)54(74-26)82-37-14-18-57(25-59)36(21-37)12-13-40-39(57)15-17-56(10)38(16-19-58(40,56)69)35-20-43(68)72-22-35)85-55-52(81-34(9)67)49(78-31(6)64)46(76-29(4)62)42(84-55)24-73-53-51(80-33(8)66)48(77-30(5)63)45(75-28(3)61)41(83-53)23-71-27(2)60/h20,25-26,36-42,44-55,69H,12-19,21-24H2,1-11H3/t26?,36-,37+,38?,39-,40-,41-,42+,44?,45-,46?,47?,48+,49-,50?,51-,52+,53?,54?,55+,56-,57+,58+/m0/s1 |
| InChIKey | BODNAXGZMZECKO-AGESCPGSSA-N |
| Literature Reference | Tetrahedron Lett. 717 (1977). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |