| SpectraBase Compound ID | HZIA7hhY70X |
|---|---|
| InChI | InChI=1S/C53H86O23/c1-21-10-13-53(15-14-51(6)24(31(53)22(21)2)8-9-30-49(4)16-25(56)43(67)50(5,20-55)29(49)11-12-52(30,51)7)48(68)76-46-38(64)35(61)34(60)28(73-46)19-70-44-39(65)36(62)41(27(17-54)72-44)74-47-40(66)42(32(58)23(3)71-47)75-45-37(63)33(59)26(57)18-69-45/h8,21-23,25-47,54-67H,9-20H2,1-7H3/t21-,22+,23-,25-,26+,27-,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38-,39-,40+,41-,42+,43+,44-,45-,46+,47-,49+,50+,51-,52-,53+/m1/s1 |
| InChIKey | YYHPPNIQPZCUIQ-WQCKNGIASA-N |
| Mol Weight | 1091.2 g/mol |
| Molecular Formula | C53H86O23 |
| Exact Mass | 1090.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JyDtre4lAfK |
|---|---|
| Name | #3;MUTONGSAPONIN-C;2-ALPHA,3-BETA,23-TRIHYDROXY-URS-12-EN-28-OIC-ACID-BETA-D-XYLOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL-(1-> |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O23 |
| InChI | InChI=1S/C53H86O23/c1-21-10-13-53(15-14-51(6)24(31(53)22(21)2)8-9-30-49(4)16-25(56)43(67)50(5,20-55)29(49)11-12-52(30,51)7)48(68)76-46-38(64)35(61)34(60)28(73-46)19-70-44-39(65)36(62)41(27(17-54)72-44)74-47-40(66)42(32(58)23(3)71-47)75-45-37(63)33(59)26(57)18-69-45/h8,21-23,25-47,54-67H,9-20H2,1-7H3/t21-,22+,23-,25-,26+,27-,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38-,39-,40+,41-,42+,43+,44-,45-,46+,47-,49+,50+,51-,52-,53+/m1/s1 |
| InChIKey | YYHPPNIQPZCUIQ-WQCKNGIASA-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 | 1091.252 g/mol |
| Sample ID | 67201 |
| Solvent | C5D5N |