![ACUTANGULOSIDE-F-METHYLESTER;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-METHYLGLUCURONOPYRANOSYL-21,22-O-TIGLOYL](/api/spectrum/3WXZHVr72fz/structure.png?h=300&w=458 "ACUTANGULOSIDE-F-METHYLESTER;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-METHYLGLUCURONOPYRANOSYL-21,22-O-TIGLOYL")
| SpectraBase Compound ID | 8xixL6rheTB |
|---|---|
| InChI | InChI=1S/C58H90O22/c1-13-26(3)47(69)79-45-46(80-48(70)27(4)14-2)58(25-60)29(21-53(45,5)6)28-15-16-33-55(9)19-18-35(54(7,8)32(55)17-20-56(33,10)57(28,11)22-34(58)62)75-52-44(78-51-40(67)38(65)37(64)31(23-59)74-51)42(41(68)43(77-52)49(71)72-12)76-50-39(66)36(63)30(61)24-73-50/h13-15,29-46,50-52,59-68H,16-25H2,1-12H3/b26-13-,27-14-/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 | HQRCIZLNVNAKMY-ZAMJYBESSA-N |
| Mol Weight | 1139.3 g/mol |
| Molecular Formula | C58H90O22 |
| Exact Mass | 1138.592375 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WXZHVr72fz |
|---|---|
| Name | ACUTANGULOSIDE-F-METHYLESTER;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-METHYLGLUCURONOPYRANOSYL-21,22-O-TIGLOYL |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H90O22 |
| InChI | InChI=1S/C58H90O22/c1-13-26(3)47(69)79-45-46(80-48(70)27(4)14-2)58(25-60)29(21-53(45,5)6)28-15-16-33-55(9)19-18-35(54(7,8)32(55)17-20-56(33,10)57(28,11)22-34(58)62)75-52-44(78-51-40(67)38(65)37(64)31(23-59)74-51)42(41(68)43(77-52)49(71)72-12)76-50-39(66)36(63)30(61)24-73-50/h13-15,29-46,50-52,59-68H,16-25H2,1-12H3/b26-13-,27-14-/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 | HQRCIZLNVNAKMY-ZAMJYBESSA-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 | 1139.339 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ9338 |