| SpectraBase Compound ID | KnFzkaXrHOn |
|---|---|
| InChI | InChI=1S/C64H96O27/c1-59(2)20-21-64(30(23-59)29-12-14-37-61(5)18-17-39(87-56-49(78)45(74)46(75)51(90-56)53(79)82-9)60(3,4)36(61)16-19-62(37,6)63(29,7)24-38(64)68)58(80)91-57-52(50(31(67)27-83-57)89-55-48(77)44(73)42(71)35(26-66)86-55)88-40(69)15-11-28-10-13-32(33(22-28)81-8)84-54-47(76)43(72)41(70)34(25-65)85-54/h10,12-13,22,30-31,34-39,41-52,54-57,65-68,70-78H,11,14-21,23-27H2,1-9H3/t30?,31-,34-,35+,36?,37?,38+,39-,41-,42+,43+,44-,45-,46-,47-,48+,49+,50-,51-,52+,54-,55-,56+,57-,61-,62+,63+,64+/m0/s1 |
| InChIKey | LSALTJVHOULETB-FMDGPYLSSA-N |
| Mol Weight | 1297.4 g/mol |
| Molecular Formula | C64H96O27 |
| Exact Mass | 1296.613898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GoUNp7cyi16 |
|---|---|
| Name | TRAGOPOGONSAPONIN-R;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(GLUCOPYRANOSYL-(1->4)-3-METHOXY-P |
| Compound Number | 176 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H96O27 |
| InChI | InChI=1S/C64H96O27/c1-59(2)20-21-64(30(23-59)29-12-14-37-61(5)18-17-39(87-56-49(78)45(74)46(75)51(90-56)53(79)82-9)60(3,4)36(61)16-19-62(37,6)63(29,7)24-38(64)68)58(80)91-57-52(50(31(67)27-83-57)89-55-48(77)44(73)42(71)35(26-66)86-55)88-40(69)15-11-28-10-13-32(33(22-28)81-8)84-54-47(76)43(72)41(70)34(25-65)85-54/h10,12-13,22,30-31,34-39,41-52,54-57,65-68,70-78H,11,14-21,23-27H2,1-9H3/t30?,31-,34-,35+,36?,37?,38+,39-,41-,42+,43+,44-,45-,46-,47-,48+,49+,50-,51-,52+,54-,55-,56+,57-,61-,62+,63+,64+/m0/s1 |
| InChIKey | LSALTJVHOULETB-FMDGPYLSSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1297.450 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1072 |