| SpectraBase Compound ID | 8ZiYSFCDC1K |
|---|---|
| InChI | InChI=1S/C42H66O15/c1-37(2)14-15-42(36(52)53)20(16-37)19-8-9-23-39(5)12-11-25(38(3,4)22(39)10-13-40(23,6)41(19,7)17-24(42)44)55-35-30(49)31(29(48)32(57-35)33(50)51)56-34-28(47)27(46)26(45)21(18-43)54-34/h8,20-32,34-35,43-49H,9-18H2,1-7H3,(H,50,51)(H,52,53)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42+/m0/s1 |
| InChIKey | OFNUYVGIYKINHD-AQHBWQKOSA-N |
| Mol Weight | 811.0 g/mol |
| Molecular Formula | C42H66O15 |
| Exact Mass | 810.440171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GX5U2m7hgO8 |
|---|---|
| Name | PROSAPOGENIN;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL-(3-BETA,16-ALPHA)-DIHYDROXY-OLEAN-12-EN-28-OIC-ACID |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O15 |
| InChI | InChI=1S/C42H66O15/c1-37(2)14-15-42(36(52)53)20(16-37)19-8-9-23-39(5)12-11-25(38(3,4)22(39)10-13-40(23,6)41(19,7)17-24(42)44)55-35-30(49)31(29(48)32(57-35)33(50)51)56-34-28(47)27(46)26(45)21(18-43)54-34/h8,20-32,34-35,43-49H,9-18H2,1-7H3,(H,50,51)(H,52,53)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42+/m0/s1 |
| InChIKey | OFNUYVGIYKINHD-AQHBWQKOSA-N |
| Literature Reference Author | M.USHIJIMA,N.KOMOTO,Y.SUGIZONO,I.MIZUNO,M.SUMIHIRO,M.ICHIKAW A,M.HAYAMA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,308(2008) |
| Literature Reference DOI | 10.1248/cpb.56.308 |
| Molecular Weight | 810.977 g/mol |
| Sample ID | 1314 |
| Solvent | C5D5N |