| SpectraBase Compound ID | 1KcPehT2q1N |
|---|---|
| InChI | InChI=1S/C46H72O18/c1-41(2)26-9-12-45(6)27(8-7-21-22-17-42(3,39(55)56)13-15-46(22,40(57)58)16-14-44(21,45)5)43(26,4)11-10-28(41)62-38-35(64-37-33(54)30(51)24(49)20-60-37)34(31(52)25(18-47)61-38)63-36-32(53)29(50)23(48)19-59-36/h7,22-38,47-54H,8-20H2,1-6H3,(H,55,56)(H,57,58)/t22?,23-,24+,25+,26?,27?,28-,29-,30-,31+,32+,33+,34-,35+,36+,37-,38-,42+,43-,44+,45+,46-/m0/s1 |
| InChIKey | ZHWOSNNIJKRDIG-TUBXPFQISA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C46H72O18 |
| Exact Mass | 912.471865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 51oBoJUObgb |
|---|---|
| Name | TRIFOSIDE-A3-BETA-HYDROXYOLEAN-12-EN-28,29-DIOIC-ACID-3-BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H72O18 |
| InChI | InChI=1S/C46H72O18/c1-41(2)26-9-12-45(6)27(8-7-21-22-17-42(3,39(55)56)13-15-46(22,40(57)58)16-14-44(21,45)5)43(26,4)11-10-28(41)62-38-35(64-37-33(54)30(51)24(49)20-60-37)34(31(52)25(18-47)61-38)63-36-32(53)29(50)23(48)19-59-36/h7,22-38,47-54H,8-20H2,1-6H3,(H,55,56)(H,57,58)/t22?,23-,24+,25+,26?,27?,28-,29-,30-,31+,32+,33+,34-,35+,36+,37-,38-,42+,43-,44+,45+,46-/m0/s1 |
| InChIKey | ZHWOSNNIJKRDIG-TUBXPFQISA-N |
| Literature Reference Author | A.IKUTA |
| Literature Reference Citation | J.NAT.PROD.,58,1378(1995) |
| Literature Reference DOI | 10.1021/np50123a007 |
| Molecular Weight | 913.067 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS23577 |