| SpectraBase Compound ID | 39DPoKYRreA |
|---|---|
| InChI | InChI=1S/C62H88O21/c1-31(76-56(68)35-16-12-10-13-17-35)39-23-25-62(70)40-21-20-37-26-38(22-24-60(37,5)41(40)27-45(61(39,62)6)80-57(69)36-18-14-11-15-19-36)78-46-28-42(71-7)52(32(2)74-46)81-47-29-43(72-8)53(33(3)75-47)82-59-51(67)55(73-9)54(34(4)77-59)83-58-50(66)49(65)48(64)44(30-63)79-58/h10-20,31-34,38-55,58-59,63-67,70H,21-30H2,1-9H3/t31?,32-,33+,34-,38+,39-,40-,41+,42+,43-,44+,45-,46+,47-,48+,49-,50+,51-,52-,53+,54-,55+,58-,59+,60+,61+,62+/m1/s1 |
| InChIKey | SXTZIDNXMZXWCP-MBAFNHGCSA-N |
| Mol Weight | 1169.4 g/mol |
| Molecular Formula | C62H88O21 |
| Exact Mass | 1168.58181 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2OaZElALmbP |
|---|---|
| Name | BOUCEROGENIN-II-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-0-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H88O21 |
| InChI | InChI=1S/C62H88O21/c1-31(76-56(68)35-16-12-10-13-17-35)39-23-25-62(70)40-21-20-37-26-38(22-24-60(37,5)41(40)27-45(61(39,62)6)80-57(69)36-18-14-11-15-19-36)78-46-28-42(71-7)52(32(2)74-46)81-47-29-43(72-8)53(33(3)75-47)82-59-51(67)55(73-9)54(34(4)77-59)83-58-50(66)49(65)48(64)44(30-63)79-58/h10-20,31-34,38-55,58-59,63-67,70H,21-30H2,1-9H3/t31?,32-,33+,34-,38+,39-,40-,41+,42+,43-,44+,45-,46+,47-,48+,49-,50+,51-,52-,53+,54-,55+,58-,59+,60+,61+,62+/m1/s1 |
| InChIKey | SXTZIDNXMZXWCP-MBAFNHGCSA-N |
| Literature Reference Author | K.HAYASHI,I.IIDA,Y.NAKAO,Y.NAKAO,K.KANEKO |
| Literature Reference Citation | PHYTOCHEM.,27,3919(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)83045-0 |
| Molecular Weight | 1169.368 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1450 |