| SpectraBase Compound ID | Ig3Uydzpakx |
|---|---|
| InChI | InChI=1S/C52H82O23/c1-21-9-12-52(14-13-50(5)23(24(52)15-21)7-8-30-48(3)16-25(55)42(66)49(4,20-54)29(48)10-11-51(30,50)6)47(67)75-45-37(63)34(60)33(59)28(72-45)19-69-43-38(64)35(61)40(27(17-53)71-43)73-46-39(65)41(31(57)22(2)70-46)74-44-36(62)32(58)26(56)18-68-44/h7,22,24-46,53-66H,1,8-20H2,2-6H3/t22-,24+,25-,26+,27-,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39+,40-,41+,42+,43-,44-,45+,46-,48+,49+,50-,51-,52+/m1/s1 |
| InChIKey | RLOFJQUNRHTUJT-XLGMJKAXSA-N |
| Mol Weight | 1075.2 g/mol |
| Molecular Formula | C52H82O23 |
| Exact Mass | 1074.524689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FdMYQNP2SQB |
|---|---|
| Name | #2;MUTONGSAPONIN-B;2-ALPHA,3-BETA,23-TRIHYDROXY-30-NOROLEAN-12-EN-28-OIC-ACID-BETA-D-XYLOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82O23 |
| InChI | InChI=1S/C52H82O23/c1-21-9-12-52(14-13-50(5)23(24(52)15-21)7-8-30-48(3)16-25(55)42(66)49(4,20-54)29(48)10-11-51(30,50)6)47(67)75-45-37(63)34(60)33(59)28(72-45)19-69-43-38(64)35(61)40(27(17-53)71-43)73-46-39(65)41(31(57)22(2)70-46)74-44-36(62)32(58)26(56)18-68-44/h7,22,24-46,53-66H,1,8-20H2,2-6H3/t22-,24+,25-,26+,27-,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39+,40-,41+,42+,43-,44-,45+,46-,48+,49+,50-,51-,52+/m1/s1 |
| InChIKey | RLOFJQUNRHTUJT-XLGMJKAXSA-N |
| Literature Reference Author | H.GAO,Z.WANG |
| Literature Reference Citation | PHYTOCHEM.,67,2697(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.09.003 |
| Molecular Weight | 1075.209 g/mol |
| Sample ID | 67196 |
| Solvent | C5D5N |