![#4;QM-14;11-O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRANOSYL-(1->4)]-O-(2-O](/api/spectrum/283y6XUgPmt/structure.png?h=300&w=458 "#4;QM-14;11-O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRANOSYL-(1->4)]-O-(2-O")
| SpectraBase Compound ID | 1rD6vUWsXgs |
|---|---|
| InChI | InChI=1S/C83H144O45/c1-13-23-42(115-76-62(103)55(96)50(91)37(7)110-76)26-21-18-22-28-48(89)121-73-72(128-82-70(58(99)53(94)47(32-86)120-82)125-78-65(106)61(102)67(40(10)113-78)123-75(108)34(4)36(6)88)68(124-77-64(105)60(101)66(39(9)112-77)122-74(107)33(3)35(5)87)41(11)114-83(73)127-71-59(100)54(95)46(31-85)119-81(71)126-69-57(98)51(92)38(8)111-80(69)116-43(24-14-2)25-19-16-15-17-20-27-44(29-49(90)109-12)117-79-63(104)56(97)52(93)45(30-84)118-79/h33-47,50-73,76-88,91-106H,13-32H2,1-12H3/t33-,34+,35+,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,46+,47-,50+,51-,52+,53-,54+,55-,56-,57-,58+,59-,60+,61-,62+,63+,64+,65-,66+,67-,68-,69+,70-,71+,72+,73+,76-,77-,78+,79+,80-,81-,82+,83-/m0/s1 |
| InChIKey | NRQUGCURTCJLII-HFDIPACUSA-N |
| Mol Weight | 1862.0 g/mol |
| Molecular Formula | C83H144O45 |
| Exact Mass | 1860.897962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 283y6XUgPmt |
|---|---|
| Name | #4;QM-14;11-O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRANOSYL-(1->4)]-O-(2-O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C83H144O45 |
| InChI | InChI=1S/C83H144O45/c1-13-23-42(115-76-62(103)55(96)50(91)37(7)110-76)26-21-18-22-28-48(89)121-73-72(128-82-70(58(99)53(94)47(32-86)120-82)125-78-65(106)61(102)67(40(10)113-78)123-75(108)34(4)36(6)88)68(124-77-64(105)60(101)66(39(9)112-77)122-74(107)33(3)35(5)87)41(11)114-83(73)127-71-59(100)54(95)46(31-85)119-81(71)126-69-57(98)51(92)38(8)111-80(69)116-43(24-14-2)25-19-16-15-17-20-27-44(29-49(90)109-12)117-79-63(104)56(97)52(93)45(30-84)118-79/h33-47,50-73,76-88,91-106H,13-32H2,1-12H3/t33-,34+,35+,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,46+,47-,50+,51-,52+,53-,54+,55-,56-,57-,58+,59-,60+,61-,62+,63+,64+,65-,66+,67-,68-,69+,70-,71+,72+,73+,76-,77-,78+,79+,80-,81-,82+,83-/m0/s1 |
| InChIKey | NRQUGCURTCJLII-HFDIPACUSA-N |
| Literature Reference Author | M.ONO,K.AKIYAMA,K.YAMAMOTO,T.MINENO,M.OKAWA,J.KINJO,H.MIYASH ITA,H.YOSHIMITSU |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,830(2014) |
| Literature Reference DOI | 10.1248/cpb.c14-00277 |
| Molecular Weight | 1862.029 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT13929 |