| SpectraBase Compound ID | 1Lq46lNI981 |
|---|---|
| InChI | InChI=1S/C58H82O26/c1-26-44(47(69-12)50(78-32(7)64)54(73-26)81-37-15-18-56(10)36(22-37)13-14-40-39(56)16-19-57(11)38(17-20-58(40,57)68)35-21-43(67)71-23-35)84-55-52(80-34(9)66)49(77-31(6)63)46(75-29(4)61)42(83-55)25-72-53-51(79-33(8)65)48(76-30(5)62)45(74-28(3)60)41(82-53)24-70-27(2)59/h21,26,36-42,44-55,68H,13-20,22-25H2,1-12H3/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 | BDEBXTDCOJGNGF-RPVCDXKHSA-N |
| Mol Weight | 1195.3 g/mol |
| Molecular Formula | C58H82O26 |
| Exact Mass | 1194.509433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfJKFp7WlGp |
|---|---|
| Name | Peracetylthevetin-B |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C58H82O26 |
| InChI | InChI=1S/C58H82O26/c1-26-44(47(69-12)50(78-32(7)64)54(73-26)81-37-15-18-56(10)36(22-37)13-14-40-39(56)16-19-57(11)38(17-20-58(40,57)68)35-21-43(67)71-23-35)84-55-52(80-34(9)66)49(77-31(6)63)46(75-29(4)61)42(83-55)25-72-53-51(79-33(8)65)48(76-30(5)62)45(74-28(3)60)41(82-53)24-70-27(2)59/h21,26,36-42,44-55,68H,13-20,22-25H2,1-12H3/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 | BDEBXTDCOJGNGF-RPVCDXKHSA-N |
| Literature Reference | Tetrahedron Lett. 717 (1977). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |