| SpectraBase Compound ID | 4NglrXNTmHs |
|---|---|
| InChI | InChI=1S/C44H70O15/c1-39(2)16-17-44(38(53)55-9)22(18-39)21-10-11-25-41(5)14-13-27(40(3,4)24(41)12-15-42(25,6)43(21,7)19-26(44)46)57-37-34(31(50)30(49)33(58-37)35(52)54-8)59-36-32(51)29(48)28(47)23(20-45)56-36/h10,22-34,36-37,45-51H,11-20H2,1-9H3/t22-,23+,24?,25?,26+,27-,28-,29-,30-,31-,32+,33-,34+,36-,37+,41?,42?,43?,44+/m0/s1 |
| InChIKey | OKANUCHQKXKVDY-BGLXGCKQSA-N |
| Mol Weight | 839.0 g/mol |
| Molecular Formula | C44H70O15 |
| Exact Mass | 838.471472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96y5JhlgWJO |
|---|---|
| Name | TRAGOPOGONOSIDE-B-METHYLESTER |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O15 |
| InChI | InChI=1S/C44H70O15/c1-39(2)16-17-44(38(53)55-9)22(18-39)21-10-11-25-41(5)14-13-27(40(3,4)24(41)12-15-42(25,6)43(21,7)19-26(44)46)57-37-34(31(50)30(49)33(58-37)35(52)54-8)59-36-32(51)29(48)28(47)23(20-45)56-36/h10,22-34,36-37,45-51H,11-20H2,1-9H3/t22-,23+,24?,25?,26+,27-,28-,29-,30-,31-,32+,33-,34+,36-,37+,41?,42?,43?,44+/m0/s1 |
| InChIKey | OKANUCHQKXKVDY-BGLXGCKQSA-N |
| Literature Reference Author | T.MIYASE,H.KOHSAKA,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,31,2087(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80368-O |
| Molecular Weight | 839.031 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6129 |