![BACOPASIDE_VIII;3-O-{BETA-D-GLUCOPYRANOSYL-(1->3)-[ALPHA-L-ARABINOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL}-20-ALPHA-L-ARA](/api/spectrum/5I3MJ1srbPU/structure.png?h=300&w=458 "BACOPASIDE_VIII;3-O-{BETA-D-GLUCOPYRANOSYL-(1->3)-[ALPHA-L-ARABINOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL}-20-ALPHA-L-ARA")
| SpectraBase Compound ID | 5bhpqiPtiL8 |
|---|---|
| InChI | InChI=1S/C52H84O22/c1-22(2)14-23-15-50(7,74-43-37(62)32(57)25(56)19-65-43)42-24-8-9-30-48(5)12-11-31(47(3,4)29(48)10-13-49(30,6)51(24)20-52(42,73-23)66-21-51)70-46-41(72-44-38(63)34(59)27(17-54)68-44)40(35(60)28(18-55)69-46)71-45-39(64)36(61)33(58)26(16-53)67-45/h14,23-46,53-64H,8-13,15-21H2,1-7H3/t23-,24?,25+,26-,27+,28-,29?,30?,31+,32+,33-,34+,35-,36+,37-,38-,39-,40+,41-,42?,43+,44+,45+,46+,48+,49-,50+,51+,52+/m1/s1 |
| InChIKey | KKXTYLIJLMOZCW-VHYBYWFHSA-N |
| Mol Weight | 1061.2 g/mol |
| Molecular Formula | C52H84O22 |
| Exact Mass | 1060.545424 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 | 5I3MJ1srbPU |
|---|---|
| Name | BACOPASIDE_VIII;3-O-{BETA-D-GLUCOPYRANOSYL-(1->3)-[ALPHA-L-ARABINOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL}-20-ALPHA-L-ARA |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O22 |
| InChI | InChI=1S/C52H84O22/c1-22(2)14-23-15-50(7,74-43-37(62)32(57)25(56)19-65-43)42-24-8-9-30-48(5)12-11-31(47(3,4)29(48)10-13-49(30,6)51(24)20-52(42,73-23)66-21-51)70-46-41(72-44-38(63)34(59)27(17-54)68-44)40(35(60)28(18-55)69-46)71-45-39(64)36(61)33(58)26(16-53)67-45/h14,23-46,53-64H,8-13,15-21H2,1-7H3/t23-,24?,25+,26-,27+,28-,29?,30?,31+,32+,33-,34+,35-,36+,37-,38-,39-,40+,41-,42?,43+,44+,45+,46+,48+,49-,50+,51+,52+/m1/s1 |
| InChIKey | KKXTYLIJLMOZCW-VHYBYWFHSA-N |
| Literature Reference Author | Y.ZHOU,Y.H.SHEN,C.ZHANG,J.SU,R.H.LIU,W.D.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,70,652(2007) |
| Literature Reference DOI | 10.1021/np060470s |
| Molecular Weight | 1061.226 g/mol |
| Sample ID | 30179 |
| Solvent | C5D5N |