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CAS 91032-36-9

:

(1S,2R,19R,22S,34S,37R,40R,52R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-22-amino-5,15-dichloro-64-{[(2S,3R,4R,5S,6R)-3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2

Description:
The chemical substance with the name "(1S,2R,19R,22S,34S,37R,40R,52R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-22-amino-5,15-dichloro-64-{[(2S,3R,4R,5S,6R)-3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2" and CAS number "91032-36-9" is a complex organic molecule characterized by multiple stereocenters, indicating a high degree of stereochemical specificity. This compound features a polycyclic structure with various functional groups, including amino, hydroxyl, and acetamido moieties, which contribute to its biological activity. The presence of dichloro substituents suggests potential reactivity and interaction with biological targets. Its intricate structure may indicate a role in medicinal chemistry, possibly as an antibiotic or therapeutic agent, given the presence of amino and hydroxyl groups that can participate in hydrogen bonding and molecular recognition. The specific stereochemistry and functional groups are crucial for its biological efficacy and pharmacokinetic properties, influencing solubility, stability, and interaction with biological macromolecules.
Formula:C88H97Cl2N9O33
InChI:InChI=1/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62+,63-,64+,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1
InChI key:InChIKey=BJNLLBUOHPVGFT-PKMGYIMSSA-N
SMILES:O(C1=C2C([C@@H](C(O)=O)NC(=O)[C@@]3([C@H](O[C@H]4[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=5C=C(Cl)C(=CC5)OC=6C=C7[C@](C(=O)N[C@](C=8C=C2C(O)=CC8)(C(=O)N3)[H])(NC(=O)[C@@]9(C=%10C=C(OC=%11C=C([C@@H](N)C(=O)N[C@@](C(=O)N9)(CC=%12C=C(Cl)C(OC(=C7)C6O[C@H]%13[C@H](NC(CCCCCCCCC)=O)[C@@H](O)[C@H](O)[C@@H](CO)O%13)=CC%12)[H])C=CC%11O)C=C(O)C%10)[H])[H])[H])=CC(O)=C1)[C@H]%14O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%14O
Synonyms:
  • 1H,15H,34H-20,23:30,33-Dietheno-3,18:35,48-bis(iminomethano)-4,8:10,14:25,28:43,47-tetrametheno-28H-[1,14,6,22]dioxadiazacyclooctacosino[4,5-m][10,2,16]benzoxadiazacyclotetracosine, ristomycin A aglycone deriv.
  • 34-O-[2-(Acetylamino)-2-deoxy-β-<span class="text-smallcaps">D</smallcap>-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[(1-oxodecyl)amino]-β-<smallcap>D</smallcap>-glucopyranosyl]-42-O-α-<smallcap>D</span>-mannopyranosylristomycin A aglycone
  • 91032-36-9
  • Ristomycin A aglycone, 34-O-[2-(acetylamino)-2-deoxy-β-<span class="text-smallcaps">D</smallcap>-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[(1-oxodecyl)amino]-β-<smallcap>D</smallcap>-glucopyranosyl]-42-O-α-<smallcap>D</span>-mannopyranosyl-
  • Teichomycin A2 factor 3
  • Teichomycin A<sub>2</sub> factor 3
  • Teicoplanin A 2-3
  • Ristomycin A aglycone, 34-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[(1-oxodecyl)amino]-β-D-glucopyranosyl]-42-O-α-D-mannopyranosyl-
  • 34-O-[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[(1-oxodecyl)amino]-β-D-glucopyranosyl]-42-O-α-D-mannopyranosylristomycin A aglycone
  • DISCONTINUED. Please see T015500
  • See more synonyms
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