![4'-O-METHYLBUTIN-7-O-[(6''->1''')-3''',11'''-DIMETHYL-7'''-HYDROXYMETHYLENEDODECANYL]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/8SJmQggRoo5/structure.png?h=300&w=458 "4'-O-METHYLBUTIN-7-O-[(6''->1''')-3''',11'''-DIMETHYL-7'''-HYDROXYMETHYLENEDODECANYL]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | bqdk6uSyrj |
|---|---|
| InChI | InChI=1S/C37H52O12/c1-21(2)7-5-9-23(19-38)10-6-8-22(3)15-33(41)46-20-32-34(42)35(43)36(44)37(49-32)47-25-12-13-26-27(39)18-30(48-31(26)17-25)24-11-14-29(45-4)28(40)16-24/h11-14,16-17,21-23,30,32,34-38,40,42-44H,5-10,15,18-20H2,1-4H3/t22?,23?,30-,32+,34+,35-,36+,37+/m1/s1 |
| InChIKey | JJNAVFIKRJWKGP-AHUFAMPESA-N |
| Mol Weight | 688.8 g/mol |
| Molecular Formula | C37H52O12 |
| Exact Mass | 688.345877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8SJmQggRoo5 |
|---|---|
| Name | 4'-O-METHYLBUTIN-7-O-[(6''->1''')-3''',11'''-DIMETHYL-7'''-HYDROXYMETHYLENEDODECANYL]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H52O12 |
| InChI | InChI=1S/C37H52O12/c1-21(2)7-5-9-23(19-38)10-6-8-22(3)15-33(41)46-20-32-34(42)35(43)36(44)37(49-32)47-25-12-13-26-27(39)18-30(48-31(26)17-25)24-11-14-29(45-4)28(40)16-24/h11-14,16-17,21-23,30,32,34-38,40,42-44H,5-10,15,18-20H2,1-4H3/t22?,23?,30-,32+,34+,35-,36+,37+/m1/s1 |
| InChIKey | JJNAVFIKRJWKGP-AHUFAMPESA-N |
| Literature Reference Author | I.M.CHUNG,A.AHMAD,M.ALI,O.K.LEE,M.Y.KIM,J.H.KIM,D.Y.YOON,C.A .M.PEEBLES,K.Y.SAN |
| Literature Reference Citation | J.NAT.PROD.,72,613(2009) |
| Literature Reference DOI | 10.1021/np800378q |
| Molecular Weight | 688.813 g/mol |
| Sample ID | 32353 |
| Solvent | CD3OD |