![#3;PHYSENOSIDE-S3;28-O-BETA-D-XYLOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-ALPHA-L-AR](/api/spectrum/5Rnnq3WBUMU/structure.png?h=300&w=458 "#3;PHYSENOSIDE-S3;28-O-BETA-D-XYLOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-ALPHA-L-AR")
| SpectraBase Compound ID | LYItuOJjmkt |
|---|---|
| InChI | InChI=1S/C63H102O30/c1-24-35(70)39(74)43(78)53(85-24)90-48-45(80)55(86-25(2)46(48)88-51-41(76)36(71)29(67)20-82-51)91-49-47(89-52-42(77)37(72)30(68)21-83-52)31(69)22-84-56(49)93-57(81)63-15-13-58(3,4)17-27(63)26-9-10-34-59(5)18-28(66)50(92-54-44(79)40(75)38(73)32(19-64)87-54)60(6,23-65)33(59)11-12-62(34,8)61(26,7)14-16-63/h9,24-25,27-56,64-80H,10-23H2,1-8H3/t24-,25+,27+,28+,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+,59+,60+,61-,62-,63+/m1/s1 |
| InChIKey | WKZWEJVRTAWADR-ZCXFBKDUSA-N |
| Mol Weight | 1339.5 g/mol |
| Molecular Formula | C63H102O30 |
| Exact Mass | 1338.645592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Rnnq3WBUMU |
|---|---|
| Name | #3;PHYSENOSIDE-S3;28-O-BETA-D-XYLOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-ALPHA-L-AR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H102O30 |
| InChI | InChI=1S/C63H102O30/c1-24-35(70)39(74)43(78)53(85-24)90-48-45(80)55(86-25(2)46(48)88-51-41(76)36(71)29(67)20-82-51)91-49-47(89-52-42(77)37(72)30(68)21-83-52)31(69)22-84-56(49)93-57(81)63-15-13-58(3,4)17-27(63)26-9-10-34-59(5)18-28(66)50(92-54-44(79)40(75)38(73)32(19-64)87-54)60(6,23-65)33(59)11-12-62(34,8)61(26,7)14-16-63/h9,24-25,27-56,64-80H,10-23H2,1-8H3/t24-,25+,27+,28+,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+,59+,60+,61-,62-,63+/m1/s1 |
| InChIKey | WKZWEJVRTAWADR-ZCXFBKDUSA-N |
| Literature Reference Author | M.INOUE,K.OHTANI,R.KASAI,M.OKUKUBO,M.ANDRIANTSIFERANA,K.YAMA SAKI,T.KOIKE |
| Literature Reference Citation | PHYTOCHEM.,70,1195(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.06.002 |
| Molecular Weight | 1339.485 g/mol |
| Sample ID | 45545 |
| Solvent | C5D5N |