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(2R,3R,4R,6R)-3-hydroxy-6-{[(1R,5S,6R,8R,9E,11R,15E,17R)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy}-2-methyloxan-4-yl carbamate

(2R,3R,4R,6R)-3-hydroxy-6-{[(1R,5S,6R,8R,9E,11R,15E,17R)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy}-2-methyloxan-4-yl carbamate

CAS: 33538-71-5

Formula: C41H67NO11

SMILES: [H][C@@]1(C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O1)O[C@@H]1CCCC=C(C)[C@@]2([H])O[C@](O)(CC=C2C)CC(=O)O[C@]([H])([C@H](C)C[C@@H](C)[C@H](O)[C@H](C)C(=O)CC)[C@H](C)C[C@@H](C)C=C1

IUPAC: (2R,3R,4R,6R)-3-hydroxy-6-{[(1R,5S,6R,8R,9E,11R,15E,17R)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy}-2-methyloxan-4-yl carbamate

InChI: InChI=1S/C41H67NO11/c1-10-32(43)29(8)36(45)26(5)20-28(7)38-27(6)19-23(2)15-16-31(50-35-21-33(51-40(42)47)37(46)30(9)49-35)14-12-11-13-24(3)39-25(4)17-18-41(48,53-39)22-34(44)52-38/h13,15-17,23,26-31,33,35-39,45-46,48H,10-12,14,18-22H2,1-9H3,(H2,42,47)/b16

Composition: C (65.66%), H (9.01%), N (1.87%), O (23.47%)

Molar Mass: 749.983

Atom Count: 120

Heavy Atom Count: 53

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 14
Exact Mass 749.471411981
Formal Charge 0
FSP3 0.78
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 4
InChIKey HHQKNFDAEDTRJK-LIOWZGMGSA-N
Lipinski's Rule of Five
Molar Refractivity 202.13
Topological Polar Surface Area 184.07
Polarizability 80.06
Ring Count 3
Rotatable Bond Count 11

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 33538-71-5 $256.74-$552.81$256.74$552.81
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