![ACUTANGULOSIDE-E;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-O-BENZOYL-22-O-TIGLOYL-BARRINGT](/api/spectrum/3oAetKXLa83/structure.png?h=300&w=458 "ACUTANGULOSIDE-E;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-O-BENZOYL-22-O-TIGLOYL-BARRINGT")
| SpectraBase Compound ID | Jt39L7SC4P1 |
|---|---|
| InChI | InChI=1S/C59H86O22/c1-10-27(2)49(72)81-47-46(80-50(73)28-14-12-11-13-15-28)54(3,4)22-30-29-16-17-34-56(7)20-19-36(55(5,6)33(56)18-21-57(34,8)58(29,9)23-35(63)59(30,47)26-61)76-53-45(79-52-41(68)39(66)38(65)32(24-60)75-52)43(42(69)44(78-53)48(70)71)77-51-40(67)37(64)31(62)25-74-51/h10-16,30-47,51-53,60-69H,17-26H2,1-9H3,(H,70,71)/b27-10-/t30-,31-,32+,33-,34?,35+,36-,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,51+,52-,53-,56-,57+,58+,59-/m0/s1 |
| InChIKey | PQWRZZBQEIVFHI-SFSPPZCGSA-N |
| Mol Weight | 1147.3 g/mol |
| Molecular Formula | C59H86O22 |
| Exact Mass | 1146.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3oAetKXLa83 |
|---|---|
| Name | ACUTANGULOSIDE-E;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-O-BENZOYL-22-O-TIGLOYL-BARRINGT |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H86O22 |
| InChI | InChI=1S/C59H86O22/c1-10-27(2)49(72)81-47-46(80-50(73)28-14-12-11-13-15-28)54(3,4)22-30-29-16-17-34-56(7)20-19-36(55(5,6)33(56)18-21-57(34,8)58(29,9)23-35(63)59(30,47)26-61)76-53-45(79-52-41(68)39(66)38(65)32(24-60)75-52)43(42(69)44(78-53)48(70)71)77-51-40(67)37(64)31(62)25-74-51/h10-16,30-47,51-53,60-69H,17-26H2,1-9H3,(H,70,71)/b27-10-/t30-,31-,32+,33-,34?,35+,36-,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,51+,52-,53-,56-,57+,58+,59-/m0/s1 |
| InChIKey | PQWRZZBQEIVFHI-SFSPPZCGSA-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 | 1147.319 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ9335 |