![LUPEROSIDE-K;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4](/api/spectrum/FONvr7P1aWS/structure.png?h=300&w=458 "LUPEROSIDE-K;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4")
| SpectraBase Compound ID | 7TV0BDKvKgt |
|---|---|
| InChI | InChI=1S/C71H112O36/c1-25-37(77)42(82)47(87)60(96-25)103-52-38(78)26(2)97-63(55(52)105-61-49(89)44(84)51(27(3)98-61)101-58-45(85)39(79)30(74)22-94-58)107-65(92)71-18-17-66(4,5)19-29(71)28-11-12-34-67(6)15-14-36(68(7,24-73)33(67)13-16-69(34,8)70(28,9)20-35(71)76)100-64-56(106-62-48(88)43(83)41(81)32(21-72)99-62)53(50(90)54(104-64)57(91)93-10)102-59-46(86)40(80)31(75)23-95-59/h11,24-27,29-56,58-64,72,74-90H,12-23H2,1-10H3/t25-,26-,27+,29?,30+,31+,32+,33?,34?,35-,36+,37-,38-,39-,40+,41-,42+,43-,44+,45+,46-,47+,48+,49-,50+,51+,52+,53+,54+,55-,56-,58-,59+,60-,61+,62-,63+,64-,67+,68+,69-,70-,71-/m1/s1 |
| InChIKey | RLSHITFRNHXXRP-LGEFQFBFSA-N |
| Mol Weight | 1541.6 g/mol |
| Molecular Formula | C71H112O36 |
| Exact Mass | 1540.69333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FONvr7P1aWS |
|---|---|
| Name | LUPEROSIDE-K;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4 |
| Compound Number | 108 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H112O36 |
| InChI | InChI=1S/C71H112O36/c1-25-37(77)42(82)47(87)60(96-25)103-52-38(78)26(2)97-63(55(52)105-61-49(89)44(84)51(27(3)98-61)101-58-45(85)39(79)30(74)22-94-58)107-65(92)71-18-17-66(4,5)19-29(71)28-11-12-34-67(6)15-14-36(68(7,24-73)33(67)13-16-69(34,8)70(28,9)20-35(71)76)100-64-56(106-62-48(88)43(83)41(81)32(21-72)99-62)53(50(90)54(104-64)57(91)93-10)102-59-46(86)40(80)31(75)23-95-59/h11,24-27,29-56,58-64,72,74-90H,12-23H2,1-10H3/t25-,26-,27+,29?,30+,31+,32+,33?,34?,35-,36+,37-,38-,39-,40+,41-,42+,43-,44+,45+,46-,47+,48+,49-,50+,51+,52+,53+,54+,55-,56-,58-,59+,60-,61+,62-,63+,64-,67+,68+,69-,70-,71-/m1/s1 |
| InChIKey | RLSHITFRNHXXRP-LGEFQFBFSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1541.649 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1314 |