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Ys-II

Ys-II

CAS: 41059-79-4

Formula: C39H64O13

SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CO1

IUPAC: (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,?.0?,?.0¹³,¹?]icosane]oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

InChI: InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20-,21+,22-,23+,24+,25+,26-,

Composition: C (63.22%), H (8.71%), O (28.07%)

Molar Mass: 740.928

Atom Count: 116

Heavy Atom Count: 52

Properties
Properties
Common Names Ys-II
Aromatic Ring Count 0
Asymmetric Atom Count 22
Exact Mass 740.434692121
Formal Charge 0
FSP3 1
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 13
Hydrogen Bond Donor Count 7
InChIKey MMTWXUQMLQGAPC-KQRWKONWSA-N
Lipinski's Rule of Five
Molar Refractivity 184.24
Topological Polar Surface Area 196.99
Polarizability 75.4
Ring Count 8
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 41059-79-4 $38.22-$203.33$38.22$55.04$96.31$203.33
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