| SpectraBase Compound ID | 8AhRA0vkOsT |
|---|---|
| InChI | InChI=1S/C67H114O37/c1-12-19-34(21-18-16-14-15-17-20-33(71)22-37(72)88-11)94-65-56(43(78)39(74)29(7)90-65)104-67-58(45(80)41(76)36(24-69)96-67)103-64-50(85)55(53(32(10)93-64)99-62-48(83)46(81)51(30(8)91-62)97-60(87)26(4)27(5)70)101-66-57(44(79)40(75)35(23-68)95-66)102-63-49(84)54(52(31(9)92-63)98-59(86)25(3)13-2)100-61-47(82)42(77)38(73)28(6)89-61/h13,26-36,38-58,61-71,73-85H,12,14-24H2,1-11H3/b25-13+/t26-,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,38-,39-,40-,41+,42+,43-,44+,45-,46+,47+,48+,49-,50+,51+,52-,53-,54-,55-,56+,57-,58+,61-,62-,63+,64-,65-,66+,67-/m1/s1 |
| InChIKey | BTGMMBLSAYLZCN-SDDSDWQESA-N |
| Mol Weight | 1511.6 g/mol |
| Molecular Formula | C67H114O37 |
| Exact Mass | 1510.703895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vzRy7YMAvI |
|---|---|
| Name | #1;QM-1;METHYL-(3S,11S)-DIHYDROXY-TETRADECANOATE-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-(4-O-TIGLOYL)-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H114O37 |
| InChI | InChI=1S/C67H114O37/c1-12-19-34(21-18-16-14-15-17-20-33(71)22-37(72)88-11)94-65-56(43(78)39(74)29(7)90-65)104-67-58(45(80)41(76)36(24-69)96-67)103-64-50(85)55(53(32(10)93-64)99-62-48(83)46(81)51(30(8)91-62)97-60(87)26(4)27(5)70)101-66-57(44(79)40(75)35(23-68)95-66)102-63-49(84)54(52(31(9)92-63)98-59(86)25(3)13-2)100-61-47(82)42(77)38(73)28(6)89-61/h13,26-36,38-58,61-71,73-85H,12,14-24H2,1-11H3/b25-13+/t26-,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,38-,39-,40-,41+,42+,43-,44+,45-,46+,47+,48+,49-,50+,51+,52-,53-,54-,55-,56+,57-,58+,61-,62-,63+,64-,65-,66+,67-/m1/s1 |
| InChIKey | BTGMMBLSAYLZCN-SDDSDWQESA-N |
| Literature Reference Author | K.AKIYAMA,T.MINENO,M.OKAWA,J.KINJO,H.MIYASHITA,H.YOSHIMITSU, T.NOHARA,M.ONO |
| Literature Reference Citation | CHEM.PHARM.BULL.,61,952(2013) |
| Literature Reference DOI | 10.1248/cpb.c13-00355 |
| Molecular Weight | 1511.620 g/mol |
| Source File Reference | UWIR4129 |