| SpectraBase Compound ID | 3pabmxkVniK |
|---|---|
| InChI | InChI=1S/C46H80O9/c1-10-11-12-13-14-15-16-19-36(49)53-28-32-38(50)39(51)40(52)41(54-32)55-46(9,23-17-18-29(2)3)30-20-25-45(8)37(30)31(47)27-34-43(6)24-22-35(48)42(4,5)33(43)21-26-44(34,45)7/h18,30-35,37-41,47-48,50-52H,10-17,19-28H2,1-9H3/t30-,31+,32+,33-,34+,35-,37+,38+,39-,40+,41-,43-,44+,45+,46-/m0/s1 |
| InChIKey | OMKLYNUCAOXMLV-BZCMXVLSSA-N |
| Mol Weight | 777.1 g/mol |
| Molecular Formula | C46H80O9 |
| Exact Mass | 776.580234 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2jUSBCN6red |
|---|---|
| Name | 3-BETA,12-BETA,(20S)-TRIHYDROXY-DAMMAR-24-ENE-20-O-BETA-D-GLUCOPYRANOSYL-6'-DECANOYLESTER |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80O9 |
| InChI | InChI=1S/C46H80O9/c1-10-11-12-13-14-15-16-19-36(49)53-28-32-38(50)39(51)40(52)41(54-32)55-46(9,23-17-18-29(2)3)30-20-25-45(8)37(30)31(47)27-34-43(6)24-22-35(48)42(4,5)33(43)21-26-44(34,45)7/h18,30-35,37-41,47-48,50-52H,10-17,19-28H2,1-9H3/t30-,31+,32+,33-,34+,35-,37+,38+,39-,40+,41-,43-,44+,45+,46-/m0/s1 |
| InChIKey | OMKLYNUCAOXMLV-BZCMXVLSSA-N |
| Literature Reference Author | W.F.LI,L.R.CHEN,X.J.GONG,Z.N.LI,K.K.LI |
| Literature Reference Citation | MOLECULES,18,3689(2013) |
| Literature Reference DOI | 10.3390/molecules18043689 |
| Molecular Weight | 777.136 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9105 |