![#1;QM-6;METHYL-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-(4-O-TIGLOYL)-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUIN](/api/spectrum/GDv6HVW6by1/structure.png?h=300&w=458 "#1;QM-6;METHYL-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-(4-O-TIGLOYL)-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUIN")
| SpectraBase Compound ID | 3n0vI26Ft6Z |
|---|---|
| InChI | InChI=1S/C69H116O40/c1-13-18-32(98-62-47(85)41(79)36(74)26(6)92-62)19-16-15-17-20-35(73)101-59-58(109-68-56(44(82)39(77)34(22-71)100-68)106-65-50(88)54(52(30(10)96-65)103-60(89)23(3)14-2)105-63-48(86)42(80)37(75)27(7)93-63)53(104-64-49(87)46(84)51(29(9)95-64)102-61(90)24(4)25(5)72)31(11)97-69(59)108-57-45(83)40(78)33(21-70)99-67(57)107-55-43(81)38(76)28(8)94-66(55)91-12/h14,24-34,36-59,62-72,74-88H,13,15-22H2,1-12H3/b23-14+/t24-,25-,26-,27-,28-,29+,30-,31-,32-,33+,34-,36-,37-,38+,39-,40+,41+,42+,43+,44+,45-,46+,47-,48+,49+,50-,51+,52-,53-,54-,55-,56-,57+,58+,59+,62+,63-,64-,65+,66+,67-,68+,69-/m0/s1 |
| InChIKey | LRWYUIKQOMMAJV-NKCTVEIVSA-N |
| Mol Weight | 1585.6 g/mol |
| Molecular Formula | C69H116O40 |
| Exact Mass | 1584.704288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDv6HVW6by1 |
|---|---|
| Name | #1;QM-6;METHYL-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-(4-O-TIGLOYL)-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H116O40 |
| InChI | InChI=1S/C69H116O40/c1-13-18-32(98-62-47(85)41(79)36(74)26(6)92-62)19-16-15-17-20-35(73)101-59-58(109-68-56(44(82)39(77)34(22-71)100-68)106-65-50(88)54(52(30(10)96-65)103-60(89)23(3)14-2)105-63-48(86)42(80)37(75)27(7)93-63)53(104-64-49(87)46(84)51(29(9)95-64)102-61(90)24(4)25(5)72)31(11)97-69(59)108-57-45(83)40(78)33(21-70)99-67(57)107-55-43(81)38(76)28(8)94-66(55)91-12/h14,24-34,36-59,62-72,74-88H,13,15-22H2,1-12H3/b23-14+/t24-,25-,26-,27-,28-,29+,30-,31-,32-,33+,34-,36-,37-,38+,39-,40+,41+,42+,43+,44+,45-,46+,47-,48+,49+,50-,51+,52-,53-,54-,55-,56-,57+,58+,59+,62+,63-,64-,65+,66+,67-,68+,69-/m0/s1 |
| InChIKey | LRWYUIKQOMMAJV-NKCTVEIVSA-N |
| Literature Reference Author | K.AKIYAMA,K.YAMMAMOTO,T.MINENO,M.OKAWA,J.KINJO,H.YOSHIMITSU, T.NHARA,M.ONO |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,125(2014) |
| Literature Reference DOI | 10.1248/cpb.c13-00739 |
| Molecular Weight | 1585.656 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT14011 |