| SpectraBase Compound ID | 8LUwFBTqLCU |
|---|---|
| InChI | InChI=1S/C48H76O17/c1-23-32(52)37(64-39-35(55)34(54)28(21-60-39)62-24(2)50)36(56)40(61-23)65-38-33(53)27(51)20-59-41(38)63-31-12-13-44(5)29(45(31,6)22-49)11-14-47(8)30(44)10-9-25-26-19-43(3,4)15-17-48(26,42(57)58)18-16-46(25,47)7/h9,23,26-41,49,51-56H,10-22H2,1-8H3,(H,57,58)/t23-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | ZIRMNOUZKRFCMK-MJWHIBESSA-N |
| Mol Weight | 925.1 g/mol |
| Molecular Formula | C48H76O17 |
| Exact Mass | 924.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HSPv2e4b6fl |
|---|---|
| Name | RARASAPONIN-III;HEDERAGENIN-3-O-(4-O-ACETYL-ALPHA-L-ARABINOPYRANOSYL)-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O17 |
| InChI | InChI=1S/C48H76O17/c1-23-32(52)37(64-39-35(55)34(54)28(21-60-39)62-24(2)50)36(56)40(61-23)65-38-33(53)27(51)20-59-41(38)63-31-12-13-44(5)29(45(31,6)22-49)11-14-47(8)30(44)10-9-25-26-19-43(3,4)15-17-48(26,42(57)58)18-16-46(25,47)7/h9,23,26-41,49,51-56H,10-22H2,1-8H3,(H,57,58)/t23-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | ZIRMNOUZKRFCMK-MJWHIBESSA-N |
| Literature Reference Author | T.MORIKAWA,Y.XIE,Y.ASAO,M.OKAMOTO,C.YAMASHITA,O.MURAOKA,H.MA TSUDA,Y.PONGPIRIYADA |
| Literature Reference Citation | PHYTOCHEM.,70,1166(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.06.015 |
| Molecular Weight | 925.121 g/mol |
| Sample ID | 45534 |
| Solvent | C5D5N |