| SpectraBase Compound ID | IogxcHNB3XK |
|---|---|
| InChI | InChI=1S/C58H74O30/c1-13-37-39(41(52(68)69)23-77-55(37)87-57-50(83-35(11)65)48(81-33(9)63)46(79-31(7)61)43(85-57)25-75-29(5)59)18-20-73-45(67)22-27(3)16-15-17-28(4)54(72)74-21-19-40-38(14-2)56(78-24-42(40)53(70)71)88-58-51(84-36(12)66)49(82-34(10)64)47(80-32(8)62)44(86-58)26-76-30(6)60/h13-14,17,22-24,37-40,43-44,46-51,55-58H,1-2,15-16,18-21,25-26H2,3-12H3,(H,68,69)(H,70,71)/b27-22+,28-17+/t37?,38?,39?,40?,43-,44-,46-,47-,48+,49+,50-,51-,55?,56?,57+,58-/m0/s1 |
| InChIKey | OYHCCOQULQNNJQ-UEBOQNQQSA-N |
| Mol Weight | 1251.2 g/mol |
| Molecular Formula | C58H74O30 |
| Exact Mass | 1250.426491 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GY87wArvAfZ |
|---|---|
| Name | RHODENTHOSIDE-A-OCTAACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H74O30 |
| InChI | InChI=1S/C58H74O30/c1-13-37-39(41(52(68)69)23-77-55(37)87-57-50(83-35(11)65)48(81-33(9)63)46(79-31(7)61)43(85-57)25-75-29(5)59)18-20-73-45(67)22-27(3)16-15-17-28(4)54(72)74-21-19-40-38(14-2)56(78-24-42(40)53(70)71)88-58-51(84-36(12)66)49(82-34(10)64)47(80-32(8)62)44(86-58)26-76-30(6)60/h13-14,17,22-24,37-40,43-44,46-51,55-58H,1-2,15-16,18-21,25-26H2,3-12H3,(H,68,69)(H,70,71)/b27-22+,28-17+/t37?,38?,39?,40?,43-,44-,46-,47-,48+,49+,50-,51-,55?,56?,57+,58-/m0/s1 |
| InChIKey | OYHCCOQULQNNJQ-UEBOQNQQSA-N |
| Literature Reference Author | W.G.MA,N.FUZZATTI,J.L.WOLFENDER,K.HOSTETTMANN,C.R.YANG |
| Literature Reference Citation | HELV.CHIM.ACTA,77,1660(1994) |
| Literature Reference DOI | 10.1002/hlca.19940770621 |
| Molecular Weight | 1251.208 g/mol |
| Solvent | MEOD |
| Source File Reference | UWVP4195 |