| SpectraBase Compound ID | Bum7pdGN5MK |
|---|---|
| InChI | InChI=1S/C45H70O17/c1-21-8-13-45(40(55)56)15-14-43(4)22(23(45)16-21)6-7-28-41(2)11-10-29(42(3,20-47)27(41)9-12-44(28,43)5)60-39-36(62-37-33(53)30(50)24(48)18-57-37)35(25(49)19-58-39)61-38-34(54)32(52)31(51)26(17-46)59-38/h6,23-39,46-54H,1,7-20H2,2-5H3,(H,55,56)/t23?,24-,25+,26-,27?,28?,29+,30+,31-,32+,33-,34-,35+,36-,37+,38+,39-,41+,42+,43-,44-,45+/m1/s1 |
| InChIKey | YNVHPXCDLBLZGR-JULBIVOQSA-N |
| Mol Weight | 883.0 g/mol |
| Molecular Formula | C45H70O17 |
| Exact Mass | 882.461301 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5iegK2yUmk7 |
|---|---|
| Name | #4;TRIFOSIDE-C;3-BETA,23-DIHYDROXY-30-NOROLEAN-12,20(29)-DIEN-28-OIC-ACID-3-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O17 |
| InChI | InChI=1S/C45H70O17/c1-21-8-13-45(40(55)56)15-14-43(4)22(23(45)16-21)6-7-28-41(2)11-10-29(42(3,20-47)27(41)9-12-44(28,43)5)60-39-36(62-37-33(53)30(50)24(48)18-57-37)35(25(49)19-58-39)61-38-34(54)32(52)31(51)26(17-46)59-38/h6,23-39,46-54H,1,7-20H2,2-5H3,(H,55,56)/t23?,24-,25+,26-,27?,28?,29+,30+,31-,32+,33-,34-,35+,36-,37+,38+,39-,41+,42+,43-,44-,45+/m1/s1 |
| InChIKey | YNVHPXCDLBLZGR-JULBIVOQSA-N |
| Literature Reference Author | A.IKUTA |
| Literature Reference Citation | J.NAT.PROD.,58,1378(1995) |
| Literature Reference DOI | 10.1021/np50123a007 |
| Molecular Weight | 883.041 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS23579 |