| SpectraBase Compound ID | B4kUgx3pAYa |
|---|---|
| InChI | InChI=1S/C42H50O11/c1-18-7-9-25-22(11-18)32-37-24(38-33(39(32)53-42(25,5)6)23-12-19(2)8-10-26(23)41(3,4)52-38)17-31(36(51-37)20-13-27(43)34(47)28(44)14-20)50-40(49)21-15-29(45)35(48)30(46)16-21/h13-16,18-19,22-23,25-26,31,36,43-48H,7-12,17H2,1-6H3/t18-,19-,22?,23?,25?,26?,31-,36-/m1/s1 |
| InChIKey | JHKPNBZHHALRCZ-GAVXUJGJSA-N |
| Mol Weight | 730.9 g/mol |
| Molecular Formula | C42H50O11 |
| Exact Mass | 730.335312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4efoVb1mTLJ |
|---|---|
| Name | JHKPNBZHHALRCZ-GAVXUJGJSA-N |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H50O11 |
| InChI | InChI=1S/C42H50O11/c1-18-7-9-25-22(11-18)32-37-24(38-33(39(32)53-42(25,5)6)23-12-19(2)8-10-26(23)41(3,4)52-38)17-31(36(51-37)20-13-27(43)34(47)28(44)14-20)50-40(49)21-15-29(45)35(48)30(46)16-21/h13-16,18-19,22-23,25-26,31,36,43-48H,7-12,17H2,1-6H3/t18-,19-,22?,23?,25?,26?,31-,36-/m1/s1 |
| InChIKey | JHKPNBZHHALRCZ-GAVXUJGJSA-N |
| Literature Reference Author | R.FUDOUJI,T.TANAKA,T.TAGURI,Y.MATSUO,I.KOUNO |
| Literature Reference Citation | J.AGR.FOOD.CHEM.,57,6417(2009) |
| Literature Reference DOI | 10.1021/jf9010998 |
| Molecular Weight | 730.852 g/mol |
| Sample ID | 68036 |
| Solvent | ACETONE-D6 |