新橙皮苷二氢查尔酮(20702-77-6)核磁图(1HNMR)
分子式:C28H36O15
分子量: 612.58
InChI:InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/s3
InChIKey: ITVGXXMINPYUHD-CVNVYSGCNA-N
Smiles:O(C1C=C(O)C(C(=O)CCC2C=CC(OC)=C(O)C=2)=C(O)C=1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@]1([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |&1:22,24,27,29,31,33,36,38,40,42,r|