| SpectraBase Compound ID | JvcjpisgYhF |
|---|---|
| InChI | InChI=1S/C78H124O36/c1-11-74(7,99)18-12-13-34(26-79)63(97)100-31-41-50(88)52(90)62(113-67-57(95)53(91)59(33(2)106-67)110-66-58(96)60(40(83)30-103-66)111-64-54(92)46(84)37(80)27-101-64)70(108-41)114-71(98)78-23-21-72(3,4)25-36(78)35-14-15-44-75(8)19-17-45(73(5,6)43(75)16-20-77(44,10)76(35,9)22-24-78)109-68-56(94)51(89)49(87)42(107-68)32-105-69-61(48(86)39(82)29-104-69)112-65-55(93)47(85)38(81)28-102-65/h11,13-14,33,36-62,64-70,79-96,99H,1,12,15-32H2,2-10H3/b34-13+/t33-,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 | ORMLQCLBYVIXAG-IKANAKSMSA-N |
| Mol Weight | 1637.8 g/mol |
| Molecular Formula | C78H124O36 |
| Exact Mass | 1636.78723 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CRWoKDH9Zmg |
|---|---|
| Name | #2;GLEDITSIOSIDE-B;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 | C78H124O36 |
| InChI | InChI=1S/C78H124O36/c1-11-74(7,99)18-12-13-34(26-79)63(97)100-31-41-50(88)52(90)62(113-67-57(95)53(91)59(33(2)106-67)110-66-58(96)60(40(83)30-103-66)111-64-54(92)46(84)37(80)27-101-64)70(108-41)114-71(98)78-23-21-72(3,4)25-36(78)35-14-15-44-75(8)19-17-45(73(5,6)43(75)16-20-77(44,10)76(35,9)22-24-78)109-68-56(94)51(89)49(87)42(107-68)32-105-69-61(48(86)39(82)29-104-69)112-65-55(93)47(85)38(81)28-102-65/h11,13-14,33,36-62,64-70,79-96,99H,1,12,15-32H2,2-10H3/b34-13+/t33-,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 | ORMLQCLBYVIXAG-IKANAKSMSA-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 | 1637.821 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP7859 |