![#7;ASTROJANOSIDE-A;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1-2)-BETA-D-XYLOPYRANOSYL-(1-2)-BETA-D-GLUCURONOPYRANOSYL]-29-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-BETA,24,29-TET](/api/spectrum/EvSMfLF1Un9/structure.png?h=300&w=458 "#7;ASTROJANOSIDE-A;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1-2)-BETA-D-XYLOPYRANOSYL-(1-2)-BETA-D-GLUCURONOPYRANOSYL]-29-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-BETA,24,29-TET")
| SpectraBase Compound ID | 7xsNY1cxvO |
|---|---|
| InChI | InChI=1S/C53H86O23/c1-22-31(58)34(61)39(66)45(71-22)75-41-32(59)25(56)19-69-46(41)76-42-37(64)36(63)40(43(67)68)74-47(42)73-30-11-12-50(4)27(51(30,5)20-55)10-13-53(7)28(50)9-8-23-24-16-48(2,17-29(57)49(24,3)14-15-52(23,53)6)21-70-44-38(65)35(62)33(60)26(18-54)72-44/h8,22,24-42,44-47,54-66H,9-21H2,1-7H3,(H,67,68)/t22-,24?,25+,26+,27?,28?,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,44+,45-,46-,47+,48-,49+,50-,51-,52+,53+/m0/s1 |
| InChIKey | ADILCSOXYAUBHY-JUSWWBCDSA-N |
| Mol Weight | 1091.2 g/mol |
| Molecular Formula | C53H86O23 |
| Exact Mass | 1090.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvSMfLF1Un9 |
|---|---|
| Name | #7;ASTROJANOSIDE-A;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1-2)-BETA-D-XYLOPYRANOSYL-(1-2)-BETA-D-GLUCURONOPYRANOSYL]-29-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-BETA,24,29-TET |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O23 |
| InChI | InChI=1S/C53H86O23/c1-22-31(58)34(61)39(66)45(71-22)75-41-32(59)25(56)19-69-46(41)76-42-37(64)36(63)40(43(67)68)74-47(42)73-30-11-12-50(4)27(51(30,5)20-55)10-13-53(7)28(50)9-8-23-24-16-48(2,17-29(57)49(24,3)14-15-52(23,53)6)21-70-44-38(65)35(62)33(60)26(18-54)72-44/h8,22,24-42,44-47,54-66H,9-21H2,1-7H3,(H,67,68)/t22-,24?,25+,26+,27?,28?,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,44+,45-,46-,47+,48-,49+,50-,51-,52+,53+/m0/s1 |
| InChIKey | ADILCSOXYAUBHY-JUSWWBCDSA-N |
| Literature Reference Author | E.BEDIR,I.CALIS,R.AQUINO,S.PIACENTE,C.PIZZA |
| Literature Reference Citation | J.NAT.PROD.,62,563(1999) |
| Literature Reference DOI | 10.1021/np980399t |
| Molecular Weight | 1091.252 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP8718 |