| SpectraBase Compound ID | 1zvLpwpb8S1 |
|---|---|
| InChI | InChI=1S/C64H104O31/c1-24-35(71)39(75)42(78)53(86-24)91-48-30(70)22-84-52(45(48)81)90-47-25(2)87-54(44(80)41(47)77)93-50-36(72)29(69)21-85-57(50)95-58(83)64-15-13-59(3,4)17-27(64)26-9-10-34-60(5)18-28(68)51(61(6,23-67)33(60)11-12-63(34,8)62(26,7)14-16-64)94-56-46(82)49(38(74)32(20-66)89-56)92-55-43(79)40(76)37(73)31(19-65)88-55/h9,24-25,27-57,65-82H,10-23H2,1-8H3/t24-,25-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,50+,51-,52-,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1 |
| InChIKey | IJDAOOSUFFVHNO-UQIBAQIBSA-N |
| Mol Weight | 1369.5 g/mol |
| Molecular Formula | C64H104O31 |
| Exact Mass | 1368.656157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DuOPKsNS5A4 |
|---|---|
| Name | #5;TACACOSIDE-B3;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,23-TRIHYDROXY-OLEAN-12-EN-28-OIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H104O31 |
| InChI | InChI=1S/C64H104O31/c1-24-35(71)39(75)42(78)53(86-24)91-48-30(70)22-84-52(45(48)81)90-47-25(2)87-54(44(80)41(47)77)93-50-36(72)29(69)21-85-57(50)95-58(83)64-15-13-59(3,4)17-27(64)26-9-10-34-60(5)18-28(68)51(61(6,23-67)33(60)11-12-63(34,8)62(26,7)14-16-64)94-56-46(82)49(38(74)32(20-66)89-56)92-55-43(79)40(76)37(73)31(19-65)88-55/h9,24-25,27-57,65-82H,10-23H2,1-8H3/t24-,25-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,50+,51-,52-,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1 |
| InChIKey | IJDAOOSUFFVHNO-UQIBAQIBSA-N |
| Literature Reference Author | B.HERNANDEZ-CARLOS,M.CARMONA-PINEDA,C.VILLANUEVA-CANONGO,J.F .LOPEZ-OLGUIN,A.ARAG |
| Literature Reference Citation | MAGN.RES.CHEM.,47,994(2009) |
| Literature Reference DOI | 10.1002/mrc.2487 |
| Molecular Weight | 1369.511 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU80184 |