![LUPEROSIDE-J;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-[XYLOPYRANOSYL-(1->3)-X](/api/spectrum/4FaIHJUcRsR/structure.png?h=300&w=458 "LUPEROSIDE-J;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-[XYLOPYRANOSYL-(1->3)-X")
| SpectraBase Compound ID | DMPd6X8yzlw |
|---|---|
| InChI | InChI=1S/C76H120O39/c1-27-39(82)44(87)49(92)65(103-27)111-56-40(83)28(2)104-68(59(56)113-66-51(94)46(89)54(29(3)105-66)108-64-53(96)55(34(81)25-102-64)109-62-47(90)41(84)32(79)23-100-62)115-70(98)76-19-17-71(4,5)21-31(76)30-11-12-37-72(6)15-14-38(73(7,26-78)36(72)13-16-75(37,9)74(30,8)18-20-76)107-69-60(114-67-50(93)45(88)43(86)35(22-77)106-67)57(52(95)58(112-69)61(97)99-10)110-63-48(91)42(85)33(80)24-101-63/h11,26-29,31-60,62-69,77,79-96H,12-25H2,1-10H3/t27-,28-,29+,31?,32+,33+,34+,35+,36?,37?,38+,39-,40-,41-,42+,43-,44+,45-,46+,47+,48-,49+,50+,51-,52+,53+,54+,55-,56+,57+,58+,59-,60-,62-,63+,64-,65-,66+,67-,68+,69-,72+,73+,74-,75-,76+/m1/s1 |
| InChIKey | MPYPNCPVKDDICO-DNZRFNKXSA-N |
| Mol Weight | 1657.8 g/mol |
| Molecular Formula | C76H120O39 |
| Exact Mass | 1656.740674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FaIHJUcRsR |
|---|---|
| Name | LUPEROSIDE-J;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-[XYLOPYRANOSYL-(1->3)-X |
| Compound Number | 107 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H120O39 |
| InChI | InChI=1S/C76H120O39/c1-27-39(82)44(87)49(92)65(103-27)111-56-40(83)28(2)104-68(59(56)113-66-51(94)46(89)54(29(3)105-66)108-64-53(96)55(34(81)25-102-64)109-62-47(90)41(84)32(79)23-100-62)115-70(98)76-19-17-71(4,5)21-31(76)30-11-12-37-72(6)15-14-38(73(7,26-78)36(72)13-16-75(37,9)74(30,8)18-20-76)107-69-60(114-67-50(93)45(88)43(86)35(22-77)106-67)57(52(95)58(112-69)61(97)99-10)110-63-48(91)42(85)33(80)24-101-63/h11,26-29,31-60,62-69,77,79-96H,12-25H2,1-10H3/t27-,28-,29+,31?,32+,33+,34+,35+,36?,37?,38+,39-,40-,41-,42+,43-,44+,45-,46+,47+,48-,49+,50+,51-,52+,53+,54+,55-,56+,57+,58+,59-,60-,62-,63+,64-,65-,66+,67-,68+,69-,72+,73+,74-,75-,76+/m1/s1 |
| InChIKey | MPYPNCPVKDDICO-DNZRFNKXSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1657.765 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1342 |