| SpectraBase Compound ID | JUESGV95M7g |
|---|---|
| InChI | InChI=1S/C78H124O35/c1-12-74(8,98)19-13-14-33(2)63(96)99-31-41-50(87)52(89)62(112-67-57(94)53(90)59(34(3)105-67)109-66-58(95)60(40(82)30-102-66)110-64-54(91)46(83)37(79)27-100-64)70(107-41)113-71(97)78-24-22-72(4,5)26-36(78)35-15-16-44-75(9)20-18-45(73(6,7)43(75)17-21-77(44,11)76(35,10)23-25-78)108-68-56(93)51(88)49(86)42(106-68)32-104-69-61(48(85)39(81)29-103-69)111-65-55(92)47(84)38(80)28-101-65/h12,14-15,34,36-62,64-70,79-95,98H,1,13,16-32H2,2-11H3/b33-14+/t34-,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+,61+,62+,64+,65-,66+,67-,68-,69-,70-,74?,75-,76+,77+,78-/m0/s1 |
| InChIKey | PSWTYKAGISJRNR-CNRJTNLHSA-N |
| Mol Weight | 1621.8 g/mol |
| Molecular Formula | C78H124O35 |
| Exact Mass | 1620.792316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EovQtqyjZXh |
|---|---|
| Name | #1;GLEDITSIOSIDE-A;3-O-BETA-D-XYLOPYRANOSYL-(1-2)-ALPHA-L-ARABINOPYRANOSYL-(1-6)-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1-3)-BETA-D-XY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H124O35 |
| InChI | InChI=1S/C78H124O35/c1-12-74(8,98)19-13-14-33(2)63(96)99-31-41-50(87)52(89)62(112-67-57(94)53(90)59(34(3)105-67)109-66-58(95)60(40(82)30-102-66)110-64-54(91)46(83)37(79)27-100-64)70(107-41)113-71(97)78-24-22-72(4,5)26-36(78)35-15-16-44-75(9)20-18-45(73(6,7)43(75)17-21-77(44,11)76(35,10)23-25-78)108-68-56(93)51(88)49(86)42(106-68)32-104-69-61(48(85)39(81)29-103-69)111-65-55(92)47(84)38(80)28-101-65/h12,14-15,34,36-62,64-70,79-95,98H,1,13,16-32H2,2-11H3/b33-14+/t34-,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+,61+,62+,64+,65-,66+,67-,68-,69-,70-,74?,75-,76+,77+,78-/m0/s1 |
| InChIKey | PSWTYKAGISJRNR-CNRJTNLHSA-N |
| Literature Reference Author | Z.ZHANG,K.KOIKE,Z.JIA,T.NIKAIDO,D.GUO,J.ZHENG |
| Literature Reference Citation | J.NAT.PROD.,62,740(1999) |
| Literature Reference DOI | 10.1021/np980441k |
| Molecular Weight | 1621.822 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP7858 |