| SpectraBase Compound ID | 6scdyoaoBql |
|---|---|
| InChI | InChI=1S/C69H112O34/c1-25-38(74)43(79)49(85)57(95-25)94-24-33-42(78)45(81)55(102-60-51(87)46(82)53(26(2)96-60)100-59-52(88)54(31(72)22-92-59)101-58-48(84)40(76)30(71)21-91-58)62(98-33)103-63(89)69-17-16-64(3,4)18-28(69)27-10-11-35-66(7)14-13-37(65(5,6)34(66)12-15-67(35,8)68(27,9)19-36(69)73)99-61-50(86)44(80)41(77)32(97-61)23-93-56-47(83)39(75)29(70)20-90-56/h10,25-26,28-62,70-88H,11-24H2,1-9H3/t25-,26-,28?,29-,30-,31-,32+,33+,34?,35?,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-,66-,67+,68+,69+/m0/s1 |
| InChIKey | CKBVDWQFFMQIGU-OVPKKFTNSA-N |
| Mol Weight | 1485.6 g/mol |
| Molecular Formula | C69H112O34 |
| Exact Mass | 1484.703501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30v9mdGcJs4 |
|---|---|
| Name | GLEDITSIA-SAPONIN-E';3-O-ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANO |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H112O34 |
| InChI | InChI=1S/C69H112O34/c1-25-38(74)43(79)49(85)57(95-25)94-24-33-42(78)45(81)55(102-60-51(87)46(82)53(26(2)96-60)100-59-52(88)54(31(72)22-92-59)101-58-48(84)40(76)30(71)21-91-58)62(98-33)103-63(89)69-17-16-64(3,4)18-28(69)27-10-11-35-66(7)14-13-37(65(5,6)34(66)12-15-67(35,8)68(27,9)19-36(69)73)99-61-50(86)44(80)41(77)32(97-61)23-93-56-47(83)39(75)29(70)20-90-56/h10,25-26,28-62,70-88H,11-24H2,1-9H3/t25-,26-,28?,29-,30-,31-,32+,33+,34?,35?,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-,66-,67+,68+,69+/m0/s1 |
| InChIKey | CKBVDWQFFMQIGU-OVPKKFTNSA-N |
| Literature Reference Author | Z.ZHANG,K.KOIKE,Z.JIA,T.NIKAIDO,D.GUO,J.ZHENG |
| Literature Reference Citation | PHYTOCHEM.,52,715(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00238-1 |
| Molecular Weight | 1485.628 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN481 |