| SpectraBase Compound ID | KIZfeMmxrgQ |
|---|---|
| InChI | InChI=1S/C38H54O24/c1-11-4-13-5-14(54-3)6-15(21(13)26(46)20(11)12(2)41)57-37-31(51)28(48)23(43)18(60-37)10-56-36-33(53)34(25(45)17(8-40)59-36)62-38-32(52)29(49)24(44)19(61-38)9-55-35-30(50)27(47)22(42)16(7-39)58-35/h4-6,16-19,22-25,27-40,42-53H,7-10H2,1-3H3/t16-,17-,18-,19-,22-,23-,24-,25-,27+,28+,29+,30-,31-,32-,33-,34+,35-,36-,37-,38+/m1/s1 |
| InChIKey | VCHBPQZDLAWBAE-LYNVEEQFSA-N |
| Mol Weight | 894.8 g/mol |
| Molecular Formula | C38H54O24 |
| Exact Mass | 894.300503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 71RA96MQBAi |
|---|---|
| Name | TORACHRYSONE-6-O-BETA-GENTIOBIOSYL-3-O-GLUCOPYRANOSYL-6-O-GLUCOPYRANOSIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H54O24 |
| InChI | InChI=1S/C38H54O24/c1-11-4-13-5-14(54-3)6-15(21(13)26(46)20(11)12(2)41)57-37-31(51)28(48)23(43)18(60-37)10-56-36-33(53)34(25(45)17(8-40)59-36)62-38-32(52)29(49)24(44)19(61-38)9-55-35-30(50)27(47)22(42)16(7-39)58-35/h4-6,16-19,22-25,27-40,42-53H,7-10H2,1-3H3/t16-,17-,18-,19-,22-,23-,24-,25-,27+,28+,29+,30-,31-,32-,33-,34+,35-,36-,37-,38+/m1/s1 |
| InChIKey | VCHBPQZDLAWBAE-LYNVEEQFSA-N |
| Literature Reference Author | T.HATANO,H.UEBAYASHI,H.ITO,S.SHIOTA,T.TSUCHIYA,T.YOSHIDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1121(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1121 |
| Molecular Weight | 894.832 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU8154 |