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Acetylspiramycin

CAT: 0127-BUP16742-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16742-01Size:100 mg
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CAS Number
24916-51-6
Synonyms
Foromacidin B, ASPM, Spiramycin B, Spiramycin II
Purity
=98%
Smiles
O([C@@H]1[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O[C@@H]2O[C@H](C)[C@@H](N(C)C)CC2)[C@H](C)C[C@@H]1CC=O)[C@H]3[C@H](O)[C@@H](N(C)C)[C@H](O[C@H]4C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@@H](C)O3

Chemical Information

spiramycin II

spiramycin ii has been reported in Streptomyces ambofaciens with data available.

CAS Number24916-51-6
PubChem CID49787020
IUPAC Name[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
Molecular FormulaC45H76N2O15
Molecular Weight885.1
XLogP2.7
Topological Polar Surface Area201
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count13
Heavy Atom Count62
Formal Charge0
Complexity1480
SMILES
C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C
InChI
InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27-,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
InChIKey
ZPCCSZFPOXBNDL-ZSTSFXQOSA-N
Chemical Structure
2D Structure
2D structure of spiramycin II
CAS: 24916-51-6
CID: 49787020
Formula: C45H76N2O15
MW: 885.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight885.1
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count13
Exact Mass884.52456972
Monoisotopic Mass884.52456972
Topological Polar Surface Area201 Ų
Heavy Atom Count62
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-B1916-01Acetylspiramycin
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0015612’-O-Acetylspiramycin I
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