| SpectraBase Compound ID | 2JYbqJOEq8x |
|---|---|
| InChI | InChI=1S/C62H116N2O23/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-43(67)58(79)63-41(50(72)42(66)32-29-26-24-21-22-25-28-31-39(3)6-2)36-82-60-56(78)54(76)52(74)46(86-60)37-84-62(61(80)81)34-44(68)48(57(87-62)51(73)45(69)35-65)64-47(70)38-83-59-55(77)53(75)49(71)40(4)85-59/h39-46,48-57,59-60,65-69,71-78H,5-38H2,1-4H3,(H,63,79)(H,64,70)(H,80,81)/t39?,40-,41-,42-,43-,44-,45?,46+,48+,49+,50+,51?,52+,53+,54-,55-,56+,57+,59+,60+,62+/m0/s1 |
| InChIKey | ZCBGDQQRWUVDBN-SIUYCZIOSA-N |
| Mol Weight | 1257.6 g/mol |
| Molecular Formula | C62H116N2O23 |
| Exact Mass | 1256.796888 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSEw8DEYC8k |
|---|---|
| Name | ZCBGDQQRWUVDBN-SIUYCZIOSA-N |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H116N2O23 |
| InChI | InChI=1S/C62H116N2O23/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-43(67)58(79)63-41(50(72)42(66)32-29-26-24-21-22-25-28-31-39(3)6-2)36-82-60-56(78)54(76)52(74)46(86-60)37-84-62(61(80)81)34-44(68)48(57(87-62)51(73)45(69)35-65)64-47(70)38-83-59-55(77)53(75)49(71)40(4)85-59/h39-46,48-57,59-60,65-69,71-78H,5-38H2,1-4H3,(H,63,79)(H,64,70)(H,80,81)/t39?,40-,41-,42-,43-,44-,45?,46+,48+,49+,50+,51?,52+,53+,54-,55-,56+,57+,59+,60+,62+/m0/s1 |
| InChIKey | ZCBGDQQRWUVDBN-SIUYCZIOSA-N |
| Literature Reference Author | F.KISA,K.YAMADA,T.MIYAMOTO,M.INAGAKI,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,982(2006) |
| Literature Reference DOI | 10.1248/cpb.54.982 |
| Molecular Weight | 1257.603 g/mol |
| Sample ID | 37184 |
| Solvent | C5D5N:D2O=9:1 |