![#4;3-BETA-[BETA-D-GLUCURONOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYLOXY]-21-BETA-[(2,3,4-TRI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,23,29-TRIXYDROXYOLEAN-1](/api/spectrum/9opVM3fsJQ0/structure.png?h=300&w=458 "#4;3-BETA-[BETA-D-GLUCURONOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYLOXY]-21-BETA-[(2,3,4-TRI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,23,29-TRIXYDROXYOLEAN-1")
| SpectraBase Compound ID | nlZ5gJnef7 |
|---|---|
| InChI | InChI=1S/C54H84O23/c1-23-38(70-24(2)58)41(71-25(3)59)42(72-26(4)60)48(69-23)77-44-43(66)50(6)17-18-53(9)27(28(50)19-49(44,5)21-56)11-12-31-51(7)15-14-32(52(8,22-57)30(51)13-16-54(31,53)10)74-47-40(36(64)35(63)39(75-47)45(67)68)76-46-37(65)34(62)33(61)29(20-55)73-46/h11,23,28-44,46-48,55-57,61-66H,12-22H2,1-10H3,(H,67,68)/t23-,28-,29+,30+,31+,32-,33+,34-,35-,36-,37+,38-,39-,40+,41+,42+,43+,44-,46-,47+,48-,49+,50+,51-,52-,53+,54+/m0/s1 |
| InChIKey | NVPHUFICFMSEDM-RHRPICAASA-N |
| Mol Weight | 1101.2 g/mol |
| Molecular Formula | C54H84O23 |
| Exact Mass | 1100.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9opVM3fsJQ0 |
|---|---|
| Name | #4;3-BETA-[BETA-D-GLUCURONOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYLOXY]-21-BETA-[(2,3,4-TRI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,23,29-TRIXYDROXYOLEAN-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H84O23 |
| InChI | InChI=1S/C54H84O23/c1-23-38(70-24(2)58)41(71-25(3)59)42(72-26(4)60)48(69-23)77-44-43(66)50(6)17-18-53(9)27(28(50)19-49(44,5)21-56)11-12-31-51(7)15-14-32(52(8,22-57)30(51)13-16-54(31,53)10)74-47-40(36(64)35(63)39(75-47)45(67)68)76-46-37(65)34(62)33(61)29(20-55)73-46/h11,23,28-44,46-48,55-57,61-66H,12-22H2,1-10H3,(H,67,68)/t23-,28-,29+,30+,31+,32-,33+,34-,35-,36-,37+,38-,39-,40+,41+,42+,43+,44-,46-,47+,48-,49+,50+,51-,52-,53+,54+/m0/s1 |
| InChIKey | NVPHUFICFMSEDM-RHRPICAASA-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 | 1101.247 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2274 |