![#3;3-BETA-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYLOXY]-21-BETA-[(2,3,4-TRI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,29-DIXYDROXYOLEAN-12-ENE](/api/spectrum/JCE2nPvV1KU/structure.png?h=300&w=458 "#3;3-BETA-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYLOXY]-21-BETA-[(2,3,4-TRI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,29-DIXYDROXYOLEAN-12-ENE")
| SpectraBase Compound ID | 1iaqTdsCAJU |
|---|---|
| InChI | InChI=1S/C53H82O21/c1-23-37(68-24(2)55)40(69-25(3)56)41(70-26(4)57)47(67-23)74-43-42(63)50(8)18-19-52(10)27(28(50)20-49(43,7)22-54)12-13-31-51(9)16-15-32(48(5,6)30(51)14-17-53(31,52)11)71-46-39(35(61)34(60)38(72-46)44(64)65)73-45-36(62)33(59)29(58)21-66-45/h12,23,28-43,45-47,54,58-63H,13-22H2,1-11H3,(H,64,65)/t23-,28-,29+,30-,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,45-,46+,47-,49+,50+,51-,52+,53+/m0/s1 |
| InChIKey | BZNBBHGCKGDDFZ-CEGCZRQNSA-N |
| Mol Weight | 1055.2 g/mol |
| Molecular Formula | C53H82O21 |
| Exact Mass | 1054.53486 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 | JCE2nPvV1KU |
|---|---|
| Name | #3;3-BETA-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYLOXY]-21-BETA-[(2,3,4-TRI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,29-DIXYDROXYOLEAN-12-ENE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H82O21 |
| InChI | InChI=1S/C53H82O21/c1-23-37(68-24(2)55)40(69-25(3)56)41(70-26(4)57)47(67-23)74-43-42(63)50(8)18-19-52(10)27(28(50)20-49(43,7)22-54)12-13-31-51(9)16-15-32(48(5,6)30(51)14-17-53(31,52)11)71-46-39(35(61)34(60)38(72-46)44(64)65)73-45-36(62)33(59)29(58)21-66-45/h12,23,28-43,45-47,54,58-63H,13-22H2,1-11H3,(H,64,65)/t23-,28-,29+,30-,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,45-,46+,47-,49+,50+,51-,52+,53+/m0/s1 |
| InChIKey | BZNBBHGCKGDDFZ-CEGCZRQNSA-N |
| Literature Reference Author | A.HIURA,T.AKABANE,K.OHTANI,R.KASAI,K.YAMASAKI,Y.KURIHARA |
| Literature Reference Citation | PHYTOCHEM.,43,1023(1996) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00385-8 |
| Molecular Weight | 1055.221 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2273 |