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Substance Name: Halichondramide
RN: 113275-14-2
InChIKey: PHNAXDMXCYGYGB-CCBJRTSDSA-N

Note

  • A marine toxin and anti-actin agent.

Molecular Formula

  • C44-H60-N4-O12

Molecular Weight

  • 836.974
 
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Names and Synonyms

Name of Substance

  • Halichondramide

Synonym

  • Kabiramide C, 21-O-de(aminocarbonyl)-23,24-didehydro-14-demethoxy-3,23-didemethyl-25-deoxy-25-oxo-

Systematic Name

  • Formamide, N-(11-(16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo(242112,516,9)hentriaconta-2(31),4,6(30),8,13,24,26(29),28-octaen-20-yl)-4,10-dimethoxy-5,9-dimethyl-6-oxo-1-undecenyl)-N-methyl-

Registry Numbers

CAS Registry Number

  • 113275-14-2

System Generated Number

  • 0113275142

Structure Descriptors

InChI

1S/C44H60N4O12/c1-27-13-9-10-17-40-45-33(24-57-40)43-47-34(25-59-43)44-46-32(23-58-44)42(56-8)30(4)35(51)15-11-14-31(50)21-41(53)60-39(27)22-38(55-7)28(2)18-19-36(52)29(3)37(54-6)16-12-20-48(5)26-49/h10-12,15,17,20,23-31,37-39,42,50H,9,13-14,16,18-19,21-22H2,1-8H3/b15-11+,17-10-,20-12+

InChIKey

PHNAXDMXCYGYGB-CCBJRTSDSA-N

Smiles

C(=C\C[C@@H]([C@@H](C(CC[C@@H]([C@@H](C[C@@H]1[C@@H](CCC=Cc2occ(n2)c2occ(c3nc([C@@H]([C@@H](C(C=CC[C@@H](CC(O1)=O)O)=O)C)OC)co3)n2)C)OC)C)=O)C)OC)\N(C=O)C