| SpectraBase Compound ID | EOZAKVWaGOw |
|---|---|
| InChI | InChI=1S/C94H152N2O38/c1-20-21-22-23-24-25-26-27-28-29-30-31-32-37-40-43-46-49-73(119-60(9)101)90(112)96-71(79(121-62(11)103)72(118-59(8)100)48-45-42-39-36-34-33-35-38-41-44-47-54(2)3)50-115-92-87(85(126-67(16)108)81(123-64(13)105)75(131-92)52-114-58(7)99)134-94-89(129-70(19)111)86(127-68(17)109)82(124-65(14)106)76(132-94)53-116-91-77(95-56(5)97)83(80(122-63(12)104)74(130-91)51-113-57(6)98)133-93-88(128-69(18)110)84(125-66(15)107)78(55(4)117-93)120-61(10)102/h54-55,71-89,91-94H,20-53H2,1-19H3,(H,95,97)(H,96,112)/t55-,71+,72-,73+,74+,75+,76+,77+,78-,79+,80-,81-,82-,83+,84+,85-,86-,87+,88+,89+,91+,92-,93-,94+/m0/s1 |
| InChIKey | SLAVYHMKEZLIJV-MZRHZXDWSA-N |
| Mol Weight | 1918.2 g/mol |
| Molecular Formula | C94H152N2O38 |
| Exact Mass | 1917.002308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 37u6PufgdDB |
|---|---|
| Name | CLARHAMNOSIDE-PERACETATE;MIXTURE |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C94H152N2O38 |
| InChI | InChI=1S/C94H152N2O38/c1-20-21-22-23-24-25-26-27-28-29-30-31-32-37-40-43-46-49-73(119-60(9)101)90(112)96-71(79(121-62(11)103)72(118-59(8)100)48-45-42-39-36-34-33-35-38-41-44-47-54(2)3)50-115-92-87(85(126-67(16)108)81(123-64(13)105)75(131-92)52-114-58(7)99)134-94-89(129-70(19)111)86(127-68(17)109)82(124-65(14)106)76(132-94)53-116-91-77(95-56(5)97)83(80(122-63(12)104)74(130-91)51-113-57(6)98)133-93-88(128-69(18)110)84(125-66(15)107)78(55(4)117-93)120-61(10)102/h54-55,71-89,91-94H,20-53H2,1-19H3,(H,95,97)(H,96,112)/t55-,71+,72-,73+,74+,75+,76+,77+,78-,79+,80-,81-,82-,83+,84+,85-,86-,87+,88+,89+,91+,92-,93-,94+/m0/s1 |
| InChIKey | SLAVYHMKEZLIJV-MZRHZXDWSA-N |
| Literature Reference Author | V.COSTANTINO,E.FATTORUSSO,C.IMPERATORE,A.MANGONI |
| Literature Reference Citation | J.ORG.CHEM.,69,1174(2004) |
| Literature Reference DOI | 10.1021/jo034865h |
| Molecular Weight | 1918.231 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN21826 |