SpectraBase Compound ID | Boe2bPLDWzB |
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InChI | InChI=1S/C47H72O19/c1-42(2)13-15-47(41(59)60)16-14-45(5)21(22(47)17-42)7-8-26-43(3)11-10-27(44(4,20-49)25(43)9-12-46(26,45)6)63-40-36(66-39-32(55)30(53)29(52)24(18-48)62-39)34(33(56)35(65-40)37(57)58)64-38-31(54)28(51)23(50)19-61-38/h7,20,22-36,38-40,48,50-56H,8-19H2,1-6H3,(H,57,58)(H,59,60)/t22-,23-,24+,25+,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
InChIKey | GAJNMIYYDYNADC-BOFKVXPZSA-N |
Mol Weight | 941.1 g/mol |
Molecular Formula | C47H72O19 |
Exact Mass | 940.46678 g/mol |
SpectraBase Spectrum ID | 7xaf2ErnHJ1 |
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Name | GYPSOGENIN-3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)-]-BETA-D-GLUCURONOPYRANOSIDE |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C47H72O19 |
InChI | InChI=1S/C47H72O19/c1-42(2)13-15-47(41(59)60)16-14-45(5)21(22(47)17-42)7-8-26-43(3)11-10-27(44(4,20-49)25(43)9-12-46(26,45)6)63-40-36(66-39-32(55)30(53)29(52)24(18-48)62-39)34(33(56)35(65-40)37(57)58)64-38-31(54)28(51)23(50)19-61-38/h7,20,22-36,38-40,48,50-56H,8-19H2,1-6H3,(H,57,58)(H,59,60)/t22-,23-,24+,25+,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
InChIKey | GAJNMIYYDYNADC-BOFKVXPZSA-N |
Literature Reference Author | M.A.LACAILLE-DUBOIS,B.HANQUET,A.RUSTAIYAN,H.WAGNER |
Literature Reference Citation | PHYTOCHEM.,34,489(1993) |
Literature Reference DOI | 10.1016/0031-9422(93)80036-R |
Molecular Weight | 941.077 g/mol |
Solvent | DMSO-D6 |
Source File Reference | UWLU7352 |