![NOTOGINSENOSIDE-E;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-20-O-(BETA-D-GLUCOPYRANOSYL)-3-BETA,12-BETA,20(S)-TRIHYDROXY-25-HYDROPER](/api/spectrum/AlFk6gniIvb/structure.png?h=300&w=458 "NOTOGINSENOSIDE-E;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-20-O-(BETA-D-GLUCOPYRANOSYL)-3-BETA,12-BETA,20(S)-TRIHYDROXY-25-HYDROPER")
| SpectraBase Compound ID | Adlt7plfUON |
|---|---|
| InChI | InChI=1S/C48H82O20/c1-43(2,68-61)13-9-14-48(8,67-41-38(60)35(57)32(54)25(20-50)63-41)22-10-16-47(7)30(22)23(52)18-28-45(5)15-12-29(44(3,4)27(45)11-17-46(28,47)6)65-42-39(36(58)33(55)26(21-51)64-42)66-40-37(59)34(56)31(53)24(19-49)62-40/h9,13,22-42,49-61H,10-12,14-21H2,1-8H3/b13-9+/t22-,23+,24+,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,45-,46+,47+,48-/m0/s1 |
| InChIKey | QIJZJJDYRMOHTP-OIZXKBGKSA-N |
| Mol Weight | 979.2 g/mol |
| Molecular Formula | C48H82O20 |
| Exact Mass | 978.539945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlFk6gniIvb |
|---|---|
| Name | NOTOGINSENOSIDE-E;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-20-O-(BETA-D-GLUCOPYRANOSYL)-3-BETA,12-BETA,20(S)-TRIHYDROXY-25-HYDROPER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H82O20 |
| InChI | InChI=1S/C48H82O20/c1-43(2,68-61)13-9-14-48(8,67-41-38(60)35(57)32(54)25(20-50)63-41)22-10-16-47(7)30(22)23(52)18-28-45(5)15-12-29(44(3,4)27(45)11-17-46(28,47)6)65-42-39(36(58)33(55)26(21-51)64-42)66-40-37(59)34(56)31(53)24(19-49)62-40/h9,13,22-42,49-61H,10-12,14-21H2,1-8H3/b13-9+/t22-,23+,24+,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,45-,46+,47+,48-/m0/s1 |
| InChIKey | QIJZJJDYRMOHTP-OIZXKBGKSA-N |
| Literature Reference Author | M.YOSHIKAWA,T.MURAKAMI,T.UENO,N.HIROKAWA,K.YASHIRO,N.MURAKAM I,J.YAMAHARA,H.MATSU |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,1056(1997) |
| Literature Reference DOI | 10.1248/cpb.45.1056 |
| Molecular Weight | 979.167 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28902 |