| SpectraBase Compound ID | BbHo75BYbD7 |
|---|---|
| InChI | InChI=1S/C70H114O36/c1-25-38(77)42(81)47(86)60(96-25)103-54-31(20-72)98-57(49(88)44(54)83)95-24-33-40(79)43(82)48(87)62(100-33)106-64(92)70-16-15-65(2,3)17-27(70)26-9-10-35-67(6)13-12-37(66(4,5)34(67)11-14-68(35,7)69(26,8)18-36(70)76)101-59-51(90)53(29(75)23-94-59)102-61-50(89)45(84)55(32(21-73)99-61)104-63-52(91)56(41(80)30(19-71)97-63)105-58-46(85)39(78)28(74)22-93-58/h9,25,27-63,71-91H,10-24H2,1-8H3/t25-,27?,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+,63+,67-,68+,69+,70+/m0/s1 |
| InChIKey | LQGCBORDBZDENF-RKOSNTBKSA-N |
| Mol Weight | 1531.6 g/mol |
| Molecular Formula | C70H114O36 |
| Exact Mass | 1530.70898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4GIze5agTl |
|---|---|
| Name | LEONTICIN-H;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSYL-ECHINOCYSTIC-ACID- |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H114O36 |
| InChI | InChI=1S/C70H114O36/c1-25-38(77)42(81)47(86)60(96-25)103-54-31(20-72)98-57(49(88)44(54)83)95-24-33-40(79)43(82)48(87)62(100-33)106-64(92)70-16-15-65(2,3)17-27(70)26-9-10-35-67(6)13-12-37(66(4,5)34(67)11-14-68(35,7)69(26,8)18-36(70)76)101-59-51(90)53(29(75)23-94-59)102-61-50(89)45(84)55(32(21-73)99-61)104-63-52(91)56(41(80)30(19-71)97-63)105-58-46(85)39(78)28(74)22-93-58/h9,25,27-63,71-91H,10-24H2,1-8H3/t25-,27?,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+,63+,67-,68+,69+,70+/m0/s1 |
| InChIKey | LQGCBORDBZDENF-RKOSNTBKSA-N |
| Literature Reference Author | M.CHEN,W.W.WU,D.NANZ,O.STICHER |
| Literature Reference Citation | PHYTOCHEM.,44,497(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00546-8 |
| Molecular Weight | 1531.654 g/mol |
| Solvent | C5D5N:CD3OD |
| Source File Reference | UWPA152 |