| SpectraBase Compound ID | EFlKEjXyBZ0 |
|---|---|
| InChI | InChI=1S/C45H70O16/c1-21-9-14-45(40(54)55)16-15-43(5)22(23(45)17-21)7-8-28-42(4)12-11-29(41(2,3)27(42)10-13-44(28,43)6)59-39-36(61-37-33(52)30(49)24(47)19-56-37)35(25(48)20-57-39)60-38-34(53)32(51)31(50)26(18-46)58-38/h7,23-39,46-53H,1,8-20H2,2-6H3,(H,54,55)/t23?,24-,25+,26-,27?,28?,29+,30+,31-,32+,33-,34-,35+,36-,37+,38+,39-,42+,43-,44-,45+/m1/s1 |
| InChIKey | KKTHPQLQBLJVCR-BTADKUIISA-N |
| Mol Weight | 867.0 g/mol |
| Molecular Formula | C45H70O16 |
| Exact Mass | 866.466386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2cuRO5YrTwx |
|---|---|
| Name | #3;TRIFOSIDE-B;3-BETA-HYDROXY-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 | C45H70O16 |
| InChI | InChI=1S/C45H70O16/c1-21-9-14-45(40(54)55)16-15-43(5)22(23(45)17-21)7-8-28-42(4)12-11-29(41(2,3)27(42)10-13-44(28,43)6)59-39-36(61-37-33(52)30(49)24(47)19-56-37)35(25(48)20-57-39)60-38-34(53)32(51)31(50)26(18-46)58-38/h7,23-39,46-53H,1,8-20H2,2-6H3,(H,54,55)/t23?,24-,25+,26-,27?,28?,29+,30+,31-,32+,33-,34-,35+,36-,37+,38+,39-,42+,43-,44-,45+/m1/s1 |
| InChIKey | KKTHPQLQBLJVCR-BTADKUIISA-N |
| Literature Reference Author | A.IKUTA |
| Literature Reference Citation | J.NAT.PROD.,58,1378(1995) |
| Literature Reference DOI | 10.1021/np50123a007 |
| Molecular Weight | 867.041 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS23578 |