Description
IUPAC Name: (E,6R)-6-[(1R,4S,5S,8R,9R,12R,13S,16S,17S)-16-hydroxy-5,9,17-trimethyl-11-oxo-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadecan-8-yl]-2-methylhept-2-enoic acid
InChI: InChI=1S/C29H44O5/c1-17(7-6-8-18(2)25(32)33)20-11-13-26(4)22-12-14-29-19(3)21(30)9-10-23(29)28(22,16-34-29)24(31)15-27(20,26)5/h8,17,19-23,30H,6-7,9-16H2,1-5H3,(H,32,33)/b18-8+/t17-,19+,20-,21+,22+,23+,26+,27-,28-,29+/m1/s1
InChIKey: BGEBMNJNYRCNCU-RIPWTOCISA-N
Canonical SMILES: CC1C(CCC2C13CCC4C2(CO3)C(=O)CC5(C4(CCC5C(C)CCC=C(C)C(=O)O)C)C)O
Isomeric SMILES: C[C@H]1[C@H](CC[C@@H]2[C@]13CC[C@@H]4[C@@]2(CO3)C(=O)C[C@]5([C@]4(CC[C@@H]5[C@H](C)CC/C=C(C)/C(=O)O)C)C)O
Synonyms: Siraitic acid A; 183374-15-4; (E,6R)-6-[(1R,4S,5S,8R,9R,12R,13S,16S,17S)-16-hydroxy-5,9,17-trimethyl-11-oxo-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadecan-8-yl]-2-methylhept-2-enoic acid; HY-N6917; AKOS040740908; DA-57890; CS-0100578
Botanical Source: