![#1;3-BETA-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYLOXY]-21-BETA-[(2,3,4-TRI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,23,29-TRIXYDROXYOLEAN-12](/api/spectrum/G6zPhdprRlU/structure.png?h=300&w=458 "#1;3-BETA-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYLOXY]-21-BETA-[(2,3,4-TRI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,23,29-TRIXYDROXYOLEAN-12")
| SpectraBase Compound ID | Bpjvpekf1xu |
|---|---|
| InChI | InChI=1S/C53H82O22/c1-23-37(69-24(2)56)40(70-25(3)57)41(71-26(4)58)47(68-23)75-43-42(64)49(6)17-18-52(9)27(28(49)19-48(43,5)21-54)11-12-31-50(7)15-14-32(51(8,22-55)30(50)13-16-53(31,52)10)72-46-39(35(62)34(61)38(73-46)44(65)66)74-45-36(63)33(60)29(59)20-67-45/h11,23,28-43,45-47,54-55,59-64H,12-22H2,1-10H3,(H,65,66)/t23-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,45-,46+,47-,48+,49+,50-,51-,52+,53+/m0/s1 |
| InChIKey | FRNZMTLWCBSEDI-FDBAFKKJSA-N |
| Mol Weight | 1071.2 g/mol |
| Molecular Formula | C53H82O22 |
| Exact Mass | 1070.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6zPhdprRlU |
|---|---|
| Name | #1;3-BETA-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYLOXY]-21-BETA-[(2,3,4-TRI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,23,29-TRIXYDROXYOLEAN-12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H82O22 |
| InChI | InChI=1S/C53H82O22/c1-23-37(69-24(2)56)40(70-25(3)57)41(71-26(4)58)47(68-23)75-43-42(64)49(6)17-18-52(9)27(28(49)19-48(43,5)21-54)11-12-31-50(7)15-14-32(51(8,22-55)30(50)13-16-53(31,52)10)72-46-39(35(62)34(61)38(73-46)44(65)66)74-45-36(63)33(60)29(59)20-67-45/h11,23,28-43,45-47,54-55,59-64H,12-22H2,1-10H3,(H,65,66)/t23-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,45-,46+,47-,48+,49+,50-,51-,52+,53+/m0/s1 |
| InChIKey | FRNZMTLWCBSEDI-FDBAFKKJSA-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 | 1071.221 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2271 |