![#1;(Z)-SECURIDACASIDE-A;3-O-BETA-D-GLUCOPYRANOSYL-28-O-(ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALPHA-](/api/spectrum/FQIilbUD8Nq/structure.png?h=300&w=458 "#1;(Z)-SECURIDACASIDE-A;3-O-BETA-D-GLUCOPYRANOSYL-28-O-(ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALPHA-")
| SpectraBase Compound ID | 80lFjgKuzMI |
|---|---|
| InChI | InChI=1S/C73H108O33/c1-31-52(100-43(79)17-12-33-10-13-34(93-9)14-11-33)49(85)56(104-62-51(87)55(103-64-57(88)73(92,29-75)30-96-64)53(32(2)97-62)101-60-50(86)54(39(78)28-95-60)102-59-47(83)44(80)38(77)27-94-59)63(98-31)106-66(91)72-22-20-67(3,4)24-36(72)35-15-16-41-68(5)25-37(76)58(105-61-48(84)46(82)45(81)40(26-74)99-61)71(8,65(89)90)42(68)18-19-70(41,7)69(35,6)21-23-72/h10-15,17,31-32,36-42,44-64,74-78,80-88,92H,16,18-30H2,1-9H3,(H,89,90)/b17-12-/t31-,32+,36+,37+,38+,39-,40-,41-,42-,44+,45-,46+,47-,48-,49+,50-,51-,52+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62+,63+,64+,68-,69-,70-,71+,72+,73-/m1/s1 |
| InChIKey | MJLVFEURYSNVKA-OIDSEPMVSA-N |
| Mol Weight | 1513.6 g/mol |
| Molecular Formula | C73H108O33 |
| Exact Mass | 1512.677286 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQIilbUD8Nq |
|---|---|
| Name | #1;(Z)-SECURIDACASIDE-A;3-O-BETA-D-GLUCOPYRANOSYL-28-O-(ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALPHA- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C73H108O33 |
| InChI | InChI=1S/C73H108O33/c1-31-52(100-43(79)17-12-33-10-13-34(93-9)14-11-33)49(85)56(104-62-51(87)55(103-64-57(88)73(92,29-75)30-96-64)53(32(2)97-62)101-60-50(86)54(39(78)28-95-60)102-59-47(83)44(80)38(77)27-94-59)63(98-31)106-66(91)72-22-20-67(3,4)24-36(72)35-15-16-41-68(5)25-37(76)58(105-61-48(84)46(82)45(81)40(26-74)99-61)71(8,65(89)90)42(68)18-19-70(41,7)69(35,6)21-23-72/h10-15,17,31-32,36-42,44-64,74-78,80-88,92H,16,18-30H2,1-9H3,(H,89,90)/b17-12-/t31-,32+,36+,37+,38+,39-,40-,41-,42-,44+,45-,46+,47-,48-,49+,50-,51-,52+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62+,63+,64+,68-,69-,70-,71+,72+,73-/m1/s1 |
| InChIKey | MJLVFEURYSNVKA-OIDSEPMVSA-N |
| Literature Reference Author | P.C.STEVENSON,T.K.DAYARATHNA,S.R.BELMAIN,N.C.VEITCH |
| Literature Reference Citation | J.AGR.FOOD.CHEM.,57,8860(2009) |
| Literature Reference DOI | 10.1021/jf901599j |
| Molecular Weight | 1513.641 g/mol |
| Sample ID | 68162 |
| Solvent | CD3OD |