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Substance Name: Theonezolide A
RN: 150243-49-5
InChIKey: MMSGOWXOEFXAOS-FIOIJENESA-N

Note

  • A polyketide macrolide; isolated from the Okinawan marine sponge Theonella sp.

Molecular Weight

  • 1562.113
 
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Names and Synonyms

  • Theonezolide A

Registry Numbers

CAS Registry Number

  • 150243-49-5

System Generated Number

  • 0150243495

Structure Descriptors

InChI

1S/C79H140N4O22S2/c1-50-33-36-64(91)41-59(86)25-17-24-57(84)23-16-15-21-52(3)77(105-107(98,99)100)76(56(7)103-79(97)69-48-102-74(81-69)31-20-30-60(87)40-58(85)26-19-29-63(90)45-68(101-8)37-34-50)83-78(96)54(5)39-53(4)71(95)46-66(93)43-62(89)28-18-27-61(88)42-65(92)44-67(94)47-73-51(2)35-38-72(104-73)70-49-106-75(82-70)32-14-12-10-9-11-13-22-55(6)80/h34,37,39,48-53,55-68,71-73,76-77,84-95H,9-33,35-36,38,40-47,80H2,1-8H3,(H,83,96)(H,98,99,100)/b37-34-,54-39+

InChIKey

MMSGOWXOEFXAOS-FIOIJENESA-N

Smiles

CC/1CCC(CC(CCCC(CCCCC(C(C(C(OC(=O)c2coc(n2)CCCC(CC(CCCC(CC(/C=C1)OC)O)O)O)C)NC(=O)/C(=C/C(C)C(CC(CC(CCCC(CC(CC(CC3C(CCC(O3)c4csc(n4)CCCCCCCCC(C)N)C)O)O)O)O)O)O)/C)OS(=O)(=O)O)C)O)O)O