| SpectraBase Compound ID | JXcwzYtrQvO |
|---|---|
| InChI | InChI=1S/C65H96O23/c1-33-56(71)45(74-10)29-53(77-33)86-59-37(5)81-55(31-47(59)76-12)87-60-36(4)80-54(30-46(60)75-11)85-58-35(3)79-52(28-44(58)69)84-57-34(2)78-51(27-43(57)68)82-42-21-22-61(8)41(26-42)20-23-63(72)48(61)32-49(83-50(70)19-18-40-16-14-13-15-17-40)62(9)64(38(6)66,88-39(7)67)24-25-65(62,63)73/h13-20,33-37,42-49,51-60,68-69,71-73H,21-32H2,1-12H3/b19-18+/t33-,34-,35-,36-,37-,42-,43+,44+,45-,46-,47+,48+,49+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60+,61-,62+,63-,64+,65+/m0/s1 |
| InChIKey | BSNBVFFPIRKTFE-ZPQKKBGYSA-N |
| Mol Weight | 1245.5 g/mol |
| Molecular Formula | C65H96O23 |
| Exact Mass | 1244.634239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | He04SS7Kipd |
|---|---|
| Name | #3;CYANOAURICULOSIDE-H;17-O-ACETYLKIDJORAMIN-3-O-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H96O23 |
| InChI | InChI=1S/C65H96O23/c1-33-56(71)45(74-10)29-53(77-33)86-59-37(5)81-55(31-47(59)76-12)87-60-36(4)80-54(30-46(60)75-11)85-58-35(3)79-52(28-44(58)69)84-57-34(2)78-51(27-43(57)68)82-42-21-22-61(8)41(26-42)20-23-63(72)48(61)32-49(83-50(70)19-18-40-16-14-13-15-17-40)62(9)64(38(6)66,88-39(7)67)24-25-65(62,63)73/h13-20,33-37,42-49,51-60,68-69,71-73H,21-32H2,1-12H3/b19-18+/t33-,34-,35-,36-,37-,42-,43+,44+,45-,46-,47+,48+,49+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60+,61-,62+,63-,64+,65+/m0/s1 |
| InChIKey | BSNBVFFPIRKTFE-ZPQKKBGYSA-N |
| Literature Reference Author | Y.LU,H.L.TENG,G.Z.YANG,Y.N.MEI |
| Literature Reference Citation | MOLECULES,16,1901(2011) |
| Literature Reference DOI | 10.3390/molecules16021901 |
| Molecular Weight | 1245.463 g/mol |
| Sample ID | 3 |
| Solvent | C5D5N |