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Substance Name: Milliamine C
RN: 49620-09-9
InChIKey: NWUXCAUIAMSMJQ-HISFENFNSA-N

Molecular Formula

  • C43-H47-N3-O9

Molecular Weight

  • 749.8563
 
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Names and Synonyms

Results Name

  • Milliamine C

Synonym

  • Milliamine C

Systematic Name

  • Benzoic acid, 2-((2-((2-(dimethylamino)benzoyl)amino)-3-hydroxybenzoyl)amino)-, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl ester, (1aR-(1aalpha,2beta,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha))-

Registry Numbers

CAS Registry Number

  • 49620-09-9

System Generated Number

  • 0049620099

Structure Descriptors

InChI

1S/C43H47N3O9/c1-22-20-42-23(2)18-29-33(41(29,3)4)28(36(42)50)19-24(21-47)35(49)43(42,54)37(22)55-40(53)25-12-7-9-15-30(25)44-39(52)27-14-11-17-32(48)34(27)45-38(51)26-13-8-10-16-31(26)46(5)6/h7-17,19-20,23,28-29,33,35,37,47-49,54H,18,21H2,1-6H3,(H,44,52)(H,45,51)/t23-,28+,29-,33+,35-,37+,42?,43+/m1/s1

InChIKey

NWUXCAUIAMSMJQ-HISFENFNSA-N

Smiles

C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4OC(=O)c5ccccc5NC(=O)c6cccc(c6NC(=O)c7ccccc7N(C)C)O)C)O)O)CO