![MS-2;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)](/api/spectrum/VxwxMzqd70/structure.png?h=300&w=458 "MS-2;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)")
| SpectraBase Compound ID | Luq0tl7lEtS |
|---|---|
| InChI | InChI=1S/C75H118O40/c1-25-38(82)42(86)47(91)64(103-25)113-58-50(94)54(109-65-49(93)44(88)53(26(2)104-65)108-63-52(96)55(32(80)23-102-63)110-61-45(89)39(83)30(78)21-100-61)27(3)105-67(58)115-69(99)75-17-16-70(4,5)18-29(75)28-10-11-35-71(6)14-13-37(72(7,24-77)34(71)12-15-73(35,8)74(28,9)19-36(75)81)107-68-59(114-66-48(92)43(87)41(85)33(20-76)106-66)56(51(95)57(112-68)60(97)98)111-62-46(90)40(84)31(79)22-101-62/h10,24-27,29-59,61-68,76,78-96H,11-23H2,1-9H3,(H,97,98)/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+,57+,58-,59-,61-,62+,63-,64+,65+,66-,67+,68-,71+,72+,73-,74-,75-/m1/s1 |
| InChIKey | DJQILZOFELTRDI-VWYJDKCHSA-N |
| Mol Weight | 1659.7 g/mol |
| Molecular Formula | C75H118O40 |
| Exact Mass | 1658.719939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | VxwxMzqd70 |
|---|---|
| Name | MS-2;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4) |
| Compound Number | 70 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H118O40 |
| InChI | InChI=1S/C75H118O40/c1-25-38(82)42(86)47(91)64(103-25)113-58-50(94)54(109-65-49(93)44(88)53(26(2)104-65)108-63-52(96)55(32(80)23-102-63)110-61-45(89)39(83)30(78)21-100-61)27(3)105-67(58)115-69(99)75-17-16-70(4,5)18-29(75)28-10-11-35-71(6)14-13-37(72(7,24-77)34(71)12-15-73(35,8)74(28,9)19-36(75)81)107-68-59(114-66-48(92)43(87)41(85)33(20-76)106-66)56(51(95)57(112-68)60(97)98)111-62-46(90)40(84)31(79)22-101-62/h10,24-27,29-59,61-68,76,78-96H,11-23H2,1-9H3,(H,97,98)/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+,57+,58-,59-,61-,62+,63-,64+,65+,66-,67+,68-,71+,72+,73-,74-,75-/m1/s1 |
| InChIKey | DJQILZOFELTRDI-VWYJDKCHSA-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 | 1659.738 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1310 |