| SpectraBase Compound ID | KJJx2Htb3PB |
|---|---|
| InChI | InChI=1S/C56H82O20/c1-28(57)66-26-37-42(68-30(3)59)44(70-32(5)61)46(71-33(6)62)49(74-37)76-45-43(69-31(4)60)38(27-67-29(2)58)73-48(47(45)72-34(7)63)75-41-18-19-53(12)39(52(41,10)11)17-20-55(14)40(53)16-15-35-36-25-51(8,9)21-23-56(36,50(64)65)24-22-54(35,55)13/h15,36-49H,16-27H2,1-14H3,(H,64,65)/t36-,37+,38+,39-,40+,41-,42+,43+,44-,45-,46+,47+,48-,49-,53-,54+,55+,56-/m0/s1 |
| InChIKey | OPNUYVVRUIEBHX-NHVISVPMSA-N |
| Mol Weight | 1075.3 g/mol |
| Molecular Formula | C56H82O20 |
| Exact Mass | 1074.539945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XLOgB8Xm6R |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID-PERACETYLATED |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H82O20 |
| InChI | InChI=1S/C56H82O20/c1-28(57)66-26-37-42(68-30(3)59)44(70-32(5)61)46(71-33(6)62)49(74-37)76-45-43(69-31(4)60)38(27-67-29(2)58)73-48(47(45)72-34(7)63)75-41-18-19-53(12)39(52(41,10)11)17-20-55(14)40(53)16-15-35-36-25-51(8,9)21-23-56(36,50(64)65)24-22-54(35,55)13/h15,36-49H,16-27H2,1-14H3,(H,64,65)/t36-,37+,38+,39-,40+,41-,42+,43+,44-,45-,46+,47+,48-,49-,53-,54+,55+,56-/m0/s1 |
| InChIKey | OPNUYVVRUIEBHX-NHVISVPMSA-N |
| Literature Reference Author | F.H.REGINATTO,C.KAUFFMANN,J.SCHRIPSEMA,D.GUILLAUME,G.GOSMANN ,E.P.SCHENKEL |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,12,32(2001) |
| Molecular Weight | 1075.255 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA1261 |