RORIDIN A(14729-29-4) IR1
Product NameRORIDIN A
CAS14729-29-4
Molecular FormulaC29H40O9
Molecular Weight532.62
InChIInChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19?,20?,21-,22-,23?,25+,27?,28-,29-/s3
InChIKey NSFWWJIQIKBZMJ-WZZABFCFNA-N
Smiles[C@@]12(OC1)C1O[C@@H]3C=C(C)CC[C@]43COC(=O)[C@@H](O)[C@H](C)CCOC(C(O)C)C=CC=CC(=O)O[C@H](C1)C24C |c:31,t:29,&1:0,5,11,16,18,34,r|
KBr disc
