![3-O-(BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL)-CYCLAMIRETIN-D](/api/spectrum/AjfvGt0PRrH/structure.png?h=300&w=458 "3-O-(BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL)-CYCLAMIRETIN-D")
| SpectraBase Compound ID | H9wyMT1VIka |
|---|---|
| InChI | InChI=1S/C52H84O22/c1-47(2)29-9-12-50(5)30(8-7-23-24-15-48(3,21-55)13-14-52(24,22-56)31(58)16-51(23,50)6)49(29,4)11-10-32(47)72-45-41(74-44-40(66)37(63)34(60)26(17-53)69-44)36(62)28(20-68-45)71-46-42(38(64)35(61)27(18-54)70-46)73-43-39(65)33(59)25(57)19-67-43/h7,21,24-46,53-54,56-66H,8-20,22H2,1-6H3/t24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,48-,49-,50+,51+,52+/m0/s1 |
| InChIKey | FWUBJULUZZNJHQ-DRMKFUMISA-N |
| Mol Weight | 1061.2 g/mol |
| Molecular Formula | C52H84O22 |
| Exact Mass | 1060.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjfvGt0PRrH |
|---|---|
| Name | 3-O-(BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL)-CYCLAMIRETIN-D |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O22 |
| InChI | InChI=1S/C52H84O22/c1-47(2)29-9-12-50(5)30(8-7-23-24-15-48(3,21-55)13-14-52(24,22-56)31(58)16-51(23,50)6)49(29,4)11-10-32(47)72-45-41(74-44-40(66)37(63)34(60)26(17-53)69-44)36(62)28(20-68-45)71-46-42(38(64)35(61)27(18-54)70-46)73-43-39(65)33(59)25(57)19-67-43/h7,21,24-46,53-54,56-66H,8-20,22H2,1-6H3/t24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,48-,49-,50+,51+,52+/m0/s1 |
| InChIKey | FWUBJULUZZNJHQ-DRMKFUMISA-N |
| Literature Reference Author | C.LAVAUD,G.MASSIOT,J.B.BARRERA,C.MORETTI,L.L.MEN-OLIVIER |
| Literature Reference Citation | PHYTOCHEM.,37,1671(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89590-4 |
| Molecular Weight | 1061.226 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS6438 |