2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-10-{[5-(dimethylamino)-6-methyloxan-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde



Compound number:
MolPort-003-850-280
CAS number: 24916-50-5; 8025-81-8
IUPAC:
2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-10-{[5-(dimethylamino)-6-methyloxan-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
IUPAC traditional:
spiramycin
SMILES:
CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](OC2CCC(C(C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C1O)N(C)C |r,$;;;;;;;;;;^Me;;;;;;;;;;;;;Me;;;Me;Me;;Me;;;;;;;;;;;Me;;;;;;Me;;;;;Me;;;;;;Me;Me$,t:12,14|
InChI key:
ACTOXUHEUCPTEW-JMRHEKERSA-N
Molecular formula:
C43H74N2O14
Molecular weight: 843.065
Solubility: not available

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 2 business days Purity: n/a
Last updated: this week In warehouse: Unverified Salt: Mixture of Spiromycins I - R=H; II - R=COCH3; III - R=COCH2CH3
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More Information

Compound Identifiers
Compound number: MolPort-003-850-280
CAS number: 24916-50-5; 8025-81-8

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000242390180
ZINC000242390181
ZINC000242390182
ZINC000242390183
ZINC000245204353
ZINC000245204354
ZINC000245204355
ZINC000245204356
MFCD00242797
MFCD01314545
2-{(2S,3S,14S,1R,4R,8R,15R)-2-[5-(4,5-dihydroxy-4,6-dimethyl(2H-3,4,5,6-tetrah ydropyran-2-yl)oxy)-4-(dimethylamino)-3-hydroxy-6-methyl(2H-3,4,5,6-tetrahydro pyran-2-yl)oxy]-14-[5-(dimethylamino)-6-me thyl(2H-3,4,5,6-tetrahydropyran-2-yl )oxy]-4-hydroxy-3-methoxy-8,15-dimethyl-6-oxo-7-oxacyclohexadeca-10,12-dienyl} ethanal
9-O-(2R,5S,6R)-5-(Dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl-leucomycin V
9-O-[(2R,5S,6R)-5-(Dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-leucomycin V
Formacidine
Spiramycin
Spiramycin A
Spiramycin I
Spiramycine

InChI
InChI: 1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30?,31-,32+,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1
InChI key: ACTOXUHEUCPTEW-JMRHEKERSA-N

Calculated Properties
Molecular formula: C43H74N2O14
Molecular weight: 843.065

Other

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