PFAS
Global PFAS Screening Tool
No. of Substances: 18960
16beta-Acetoxy-3beta-[(4-O-acetyl-3-O-methyl-2,6-dideoxy-L-arabino-hexopyranosyl)oxy]-14-hydroxy-5beta-carda-20(22)-enolide
CAS Number: 51008-91-4
IUPAC name: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Molecular formula: C34H50O10
Molecular weight: 618.8
InChI: InChI=1S/C34H50O10/c1-18-31(43-20(3)36)26(39-6)15-29(41-18)44-23-9-11-32(4)22(14-23)7-8-25-24(32)10-12-33(5)30(21-13-28(37)40-17-21)27(42-19(2)35)16-34(25,33)38/h13,18,22-27,29-31,38H,7-12,14-17H2,1-6H3/t18-,22+,23-,24-,25+,26-,27-,29?,30-,31-,32-,33+,34-/m0/s1
InChIKey: LVBKNIDTHCKOMF-NWVCHINASA-N
SMILES: C[C@H]1[C@@H]([C@H](CC(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)OC(=O)C
EINECS: -
