1-O-Deacetylkhayalide E

CAS	1007387-95-2
Synonyms	Deacetylkhayanolide E
IUPAC Name	methyl (2S)-2-[(1S,2S,3S,4R,7S,8S,12R,14R,16R,17R,18S)-8-(furan-3-yl)-1,3-dihydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate
Molecular Weight	516.54
Molecular Formula	C27H32O10
Canonical SMILES	C[C@@]12CC[C@@H]3[C@@]4([C@H]([C@]5(C[C@@]4([C@H]6[C@@]3([C@]1(CC(=O)O[C@H]2C7=COC=C7)O[C@H]6C5=O)O)O)C)[C@@H](C(=O)OC)O)C
InChI	InChI=1S/C27H32O10/c1-22-11-25(32)18-16(19(22)30)37-26-9-14(28)36-20(12-6-8-35-10-12)23(26,2)7-5-13(27(18,26)33)24(25,3)17(22)15(29)21(31)34-4/h6,8,10,13,15-18,20,29,32-33H,5,7,9,11H2,1-4H3/t13-,15+,16-,17+,18+,20+,22-,23+,24-,25+,26-,27+/m1/s1
InChI Key	HOUJKWFMLMSPNW-DUHTYQCCSA-N
Purity	98%
Appearance	Solid