| SpectraBase Compound ID | Aqs0PrjXB9K |
|---|---|
| InChI | InChI=1S/C85H130O43/c1-32-49(94)55(100)61(106)73(115-32)124-66-41(26-87)118-71(63(108)58(66)103)113-29-43-53(98)56(101)62(107)75(121-43)128-79(111)85-21-19-80(3,4)24-36(85)35-11-13-46-81(5)17-16-47(82(6,31-89)45(81)15-18-84(46,8)83(35,7)20-22-85)122-77-69(51(96)39(92)28-112-77)127-76-65(110)68(50(95)33(2)116-76)126-72-60(105)54(99)44(30-114-72)120-74-64(109)59(104)67(42(27-88)119-74)125-78-70(57(102)52(97)40(25-86)117-78)123-48(93)14-10-34-9-12-37(90)38(91)23-34/h9-12,14,23,32-33,36,39-47,49-78,86-92,94-110H,13,15-22,24-31H2,1-8H3/b14-10+/t32-,33+,36+,39+,40+,41-,42-,43-,44-,45-,46-,47+,49-,50+,51+,52+,53-,54-,55+,56+,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-,69-,70+,71-,72+,73-,74+,75+,76+,77+,78-,81+,82+,83-,84-,85+/m1/s1 |
| InChIKey | IYJZBLFQBZWZBG-WNRCCLQQSA-N |
| Mol Weight | 1839.9 g/mol |
| Molecular Formula | C85H130O43 |
| Exact Mass | 1838.798583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3ibqa5DCgw |
|---|---|
| Name | #1;CLEMATIBETOSIDE-A;3-O-(2-O-CAFFEOYL)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-AL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C85H130O43 |
| InChI | InChI=1S/C85H130O43/c1-32-49(94)55(100)61(106)73(115-32)124-66-41(26-87)118-71(63(108)58(66)103)113-29-43-53(98)56(101)62(107)75(121-43)128-79(111)85-21-19-80(3,4)24-36(85)35-11-13-46-81(5)17-16-47(82(6,31-89)45(81)15-18-84(46,8)83(35,7)20-22-85)122-77-69(51(96)39(92)28-112-77)127-76-65(110)68(50(95)33(2)116-76)126-72-60(105)54(99)44(30-114-72)120-74-64(109)59(104)67(42(27-88)119-74)125-78-70(57(102)52(97)40(25-86)117-78)123-48(93)14-10-34-9-12-37(90)38(91)23-34/h9-12,14,23,32-33,36,39-47,49-78,86-92,94-110H,13,15-22,24-31H2,1-8H3/b14-10+/t32-,33+,36+,39+,40+,41-,42-,43-,44-,45-,46-,47+,49-,50+,51+,52+,53-,54-,55+,56+,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-,69-,70+,71-,72+,73-,74+,75+,76+,77+,78-,81+,82+,83-,84-,85+/m1/s1 |
| InChIKey | IYJZBLFQBZWZBG-WNRCCLQQSA-N |
| Literature Reference Author | Y.KAWATA,H.KIZU,Y.MIYAICHI,T.TOMIMORI |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,635(2001) |
| Literature Reference DOI | 10.1248/cpb.49.635 |
| Molecular Weight | 1839.941 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU31740 |