![ACUTANGULOSIDE-A;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-O-BENZOYL-22-O-ISOBUTYRYL-BARRI](/api/spectrum/8asL9DAB8GM/structure.png?h=300&w=458 "ACUTANGULOSIDE-A;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-O-BENZOYL-22-O-ISOBUTYRYL-BARRI")
| SpectraBase Compound ID | 8GJ2EojTeJZ |
|---|---|
| InChI | InChI=1S/C58H86O22/c1-26(2)48(71)80-46-45(79-49(72)27-13-11-10-12-14-27)53(3,4)21-29-28-15-16-33-55(7)19-18-35(54(5,6)32(55)17-20-56(33,8)57(28,9)22-34(62)58(29,46)25-60)75-52-44(78-51-40(67)38(65)37(64)31(23-59)74-51)42(41(68)43(77-52)47(69)70)76-50-39(66)36(63)30(61)24-73-50/h10-15,26,29-46,50-52,59-68H,16-25H2,1-9H3,(H,69,70)/t29-,30-,31+,32-,33?,34+,35-,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,50+,51-,52-,55-,56+,57+,58-/m0/s1 |
| InChIKey | QWBPMBCNZGRNJF-PYXYYIQBSA-N |
| Mol Weight | 1135.3 g/mol |
| Molecular Formula | C58H86O22 |
| Exact Mass | 1134.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8asL9DAB8GM |
|---|---|
| Name | ACUTANGULOSIDE-A;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-O-BENZOYL-22-O-ISOBUTYRYL-BARRI |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H86O22 |
| InChI | InChI=1S/C58H86O22/c1-26(2)48(71)80-46-45(79-49(72)27-13-11-10-12-14-27)53(3,4)21-29-28-15-16-33-55(7)19-18-35(54(5,6)32(55)17-20-56(33,8)57(28,9)22-34(62)58(29,46)25-60)75-52-44(78-51-40(67)38(65)37(64)31(23-59)74-51)42(41(68)43(77-52)47(69)70)76-50-39(66)36(63)30(61)24-73-50/h10-15,26,29-46,50-52,59-68H,16-25H2,1-9H3,(H,69,70)/t29-,30-,31+,32-,33?,34+,35-,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,50+,51-,52-,55-,56+,57+,58-/m0/s1 |
| InChIKey | QWBPMBCNZGRNJF-PYXYYIQBSA-N |
| Literature Reference Author | C.MILLS,A.R.CARROLL,R.J.QUINN |
| Literature Reference Citation | J.NAT.PROD.,68,311(2005) |
| Literature Reference DOI | 10.1021/np049741u |
| Molecular Weight | 1135.308 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ9330 |