![28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-QUINOVOPYRANOSYL]-QUILLAIC-ACID-ESTER](/api/spectrum/87RJDfLfXX1/structure.png?h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-QUINOVOPYRANOSYL]-QUILLAIC-ACID-ESTER")
| SpectraBase Compound ID | 5M7R8huJZbQ |
|---|---|
| InChI | InChI=1S/C53H84O21/c1-22-32(58)35(61)38(64)44(68-22)72-41-33(59)23(2)69-46(42(41)73-45-39(65)36(62)40(24(3)70-45)71-43-37(63)34(60)27(55)20-67-43)74-47(66)53-17-16-48(4,5)18-26(53)25-10-11-29-49(6)14-13-30(56)50(7,21-54)28(49)12-15-51(29,8)52(25,9)19-31(53)57/h10,21-24,26-46,55-65H,11-20H2,1-9H3/t22-,23-,24+,26?,27+,28?,29?,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40+,41+,42-,43-,44-,45+,46+,49+,50+,51-,52-,53-/m1/s1 |
| InChIKey | DXNCPIWHKJWEBP-UMJIGFCJSA-N |
| Mol Weight | 1057.2 g/mol |
| Molecular Formula | C53H84O21 |
| Exact Mass | 1056.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 87RJDfLfXX1 |
|---|---|
| Name | 28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-QUINOVOPYRANOSYL]-QUILLAIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O21 |
| InChI | InChI=1S/C53H84O21/c1-22-32(58)35(61)38(64)44(68-22)72-41-33(59)23(2)69-46(42(41)73-45-39(65)36(62)40(24(3)70-45)71-43-37(63)34(60)27(55)20-67-43)74-47(66)53-17-16-48(4,5)18-26(53)25-10-11-29-49(6)14-13-30(56)50(7,21-54)28(49)12-15-51(29,8)52(25,9)19-31(53)57/h10,21-24,26-46,55-65H,11-20H2,1-9H3/t22-,23-,24+,26?,27+,28?,29?,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40+,41+,42-,43-,44-,45+,46+,49+,50+,51-,52-,53-/m1/s1 |
| InChIKey | DXNCPIWHKJWEBP-UMJIGFCJSA-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 | 1057.237 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1299 |