![#4A;ARDISIACRISPIN-B-PERACETATE;3-O-(ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL)-3-BET](/api/spectrum/3Z0HLOeUygL/structure.png?h=300&w=458 "#4A;ARDISIACRISPIN-B-PERACETATE;3-O-(ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL)-3-BET")
| SpectraBase Compound ID | DwObxWxGuhv |
|---|---|
| InChI | InChI=1S/C77H112O35/c1-34-55(97-37(4)80)59(101-41(8)84)63(104-44(11)87)67(96-34)111-65-61(103-43(10)86)57(99-39(6)82)47(30-92-35(2)78)106-68(65)107-49-32-94-66(62(58(49)100-40(7)83)110-69-64(105-45(12)88)60(102-42(9)85)56(98-38(5)81)48(108-69)31-93-36(3)79)109-54-22-23-73(17)50(71(54,14)15)20-24-74(18)51(73)21-25-77(112-46(13)89)52-28-72(16)26-27-76(52,33-95-70(72)91)53(90)29-75(74,77)19/h34,47-70,90-91H,20-33H2,1-19H3/t34-,47+,48+,49-,50-,51+,52+,53+,54-,55-,56+,57+,58-,59+,60-,61-,62+,63+,64+,65+,66-,67-,68-,69-,70?,72-,73-,74+,75-,76+,77-/m0/s1 |
| InChIKey | XBZRBLZHOGACEX-FTFRNBIISA-N |
| Mol Weight | 1597.7 g/mol |
| Molecular Formula | C77H112O35 |
| Exact Mass | 1596.698415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Z0HLOeUygL |
|---|---|
| Name | #4A;ARDISIACRISPIN-B-PERACETATE;3-O-(ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL)-3-BET |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H112O35 |
| InChI | InChI=1S/C77H112O35/c1-34-55(97-37(4)80)59(101-41(8)84)63(104-44(11)87)67(96-34)111-65-61(103-43(10)86)57(99-39(6)82)47(30-92-35(2)78)106-68(65)107-49-32-94-66(62(58(49)100-40(7)83)110-69-64(105-45(12)88)60(102-42(9)85)56(98-38(5)81)48(108-69)31-93-36(3)79)109-54-22-23-73(17)50(71(54,14)15)20-24-74(18)51(73)21-25-77(112-46(13)89)52-28-72(16)26-27-76(52,33-95-70(72)91)53(90)29-75(74,77)19/h34,47-70,90-91H,20-33H2,1-19H3/t34-,47+,48+,49-,50-,51+,52+,53+,54-,55-,56+,57+,58-,59+,60-,61-,62+,63+,64+,65+,66-,67-,68-,69-,70?,72-,73-,74+,75-,76+,77-/m0/s1 |
| InChIKey | XBZRBLZHOGACEX-FTFRNBIISA-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 | 1597.715 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS6436 |