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(1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1?,?.0²?,²?]pentacosane]-10',14',16',22'-tetraen-2'-one

(1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1?,?.0²?,²?]pentacosane]-10',14',16',22'-tetraen-2'-one

CAS: 71837-27-9

Formula: C41H62O11

SMILES: [H][C@@]12OCC3=CC=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)C(C)=C/C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)[C@@H](C)CC)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

IUPAC: (1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1?,?.0²?,²?]pentacosane]-10',14',16',22'-tetraen-2'-one

InChI: InChI=1S/C41H62O11/c1-9-22(2)37-25(5)15-16-40(52-37)20-30-18-29(51-40)14-13-24(4)36(50-33-19-32(46-8)35(43)27(7)48-33)23(3)11-10-12-28-21-47-38-34(42)26(6)17-31(39(44)49-30)41(28,38)45/h10-13,17,22-23,25,27,29-38,42-43,45H,9,14-16,18-21H2,1-8H3/b11-10-,24

Composition: C (67.37%), H (8.55%), O (24.08%)

Molar Mass: 730.936

Atom Count: 114

Heavy Atom Count: 52

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 16
Exact Mass 730.429212816
Formal Charge 0
FSP3 0.78
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 3
InChIKey IDRWWNAYSYRQBV-DQDVCMNESA-N
Lipinski's Rule of Five
Molar Refractivity 196.22
Topological Polar Surface Area 142.37
Polarizability 77.73
Ring Count 6
Rotatable Bond Count 5

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97% <14 Days 71837-27-9 $134.64-$1,057.74$134.64$1,057.74
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