![3,11-DIHYDROXYTETRADECANOIC-ACID-11-O-BETA-QUINOVOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL-(1->3)-[ALPHA-RHAMNOPYRANOSYL-(1->4)]-QUINOVOPYRANOSYL)-(1->2)-BETA-GLUC](/api/spectrum/3lthe5uIPbZ/structure.png?h=300&w=458 "3,11-DIHYDROXYTETRADECANOIC-ACID-11-O-BETA-QUINOVOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL-(1->3)-[ALPHA-RHAMNOPYRANOSYL-(1->4)]-QUINOVOPYRANOSYL)-(1->2)-BETA-GLUC")
| SpectraBase Compound ID | ZxYt6k5Jls |
|---|---|
| InChI | InChI=1S/C50H88O30/c1-6-12-23(14-11-9-7-8-10-13-22(53)15-26(54)55)73-48-42(34(63)29(58)20(4)71-48)80-50-44(36(65)31(60)25(17-52)75-50)79-47-39(68)41(40(21(5)72-47)76-45-37(66)32(61)27(56)18(2)69-45)77-49-43(35(64)30(59)24(16-51)74-49)78-46-38(67)33(62)28(57)19(3)70-46/h18-25,27-53,56-68H,6-17H2,1-5H3,(H,54,55)/t18-,19-,20+,21+,22?,23?,24-,25+,27-,28-,29-,30-,31+,32+,33+,34-,35+,36-,37+,38-,39+,40+,41+,42+,43-,44+,45-,46+,47-,48-,49+,50-/m1/s1 |
| InChIKey | XYVNPFSOKQESQT-NFRVLGEOSA-N |
| Mol Weight | 1169.2 g/mol |
| Molecular Formula | C50H88O30 |
| Exact Mass | 1168.536041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lthe5uIPbZ |
|---|---|
| Name | 3,11-DIHYDROXYTETRADECANOIC-ACID-11-O-BETA-QUINOVOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL-(1->3)-[ALPHA-RHAMNOPYRANOSYL-(1->4)]-QUINOVOPYRANOSYL)-(1->2)-BETA-GLUC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H88O30 |
| InChI | InChI=1S/C50H88O30/c1-6-12-23(14-11-9-7-8-10-13-22(53)15-26(54)55)73-48-42(34(63)29(58)20(4)71-48)80-50-44(36(65)31(60)25(17-52)75-50)79-47-39(68)41(40(21(5)72-47)76-45-37(66)32(61)27(56)18(2)69-45)77-49-43(35(64)30(59)24(16-51)74-49)78-46-38(67)33(62)28(57)19(3)70-46/h18-25,27-53,56-68H,6-17H2,1-5H3,(H,54,55)/t18-,19-,20+,21+,22?,23?,24-,25+,27-,28-,29-,30-,31+,32+,33+,34-,35+,36-,37+,38-,39+,40+,41+,42+,43-,44+,45-,46+,47-,48-,49+,50-/m1/s1 |
| InChIKey | XYVNPFSOKQESQT-NFRVLGEOSA-N |
| Literature Reference Author | J.K.MACLEOD,A.WARD,P.B.OELRICHS |
| Literature Reference Citation | J.NAT.PROD.,60,467(1997) |
| Literature Reference DOI | 10.1021/np960693q |
| Molecular Weight | 1169.231 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP547 |