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Substance Name: Milliamine A
RN: 34391-10-1
InChIKey: VTLYZTRDIRBJDH-BVRVJCKWSA-N

Note

  • Ingenol ester from root of Euphorbia milli.

Molecular Formula

  • C45-H49-N3-O10

Molecular Weight

  • 791.8931
 
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Names and Synonyms

Results Name

  • Milliamine A

Name of Substance

  • Milliamine

Synonyms

  • Milliamin
  • Milliamine
  • Milliamine A

Systematic Name

  • Benzoic acid, 2-((2-((2-(dimethylamino)benzoyl)amino)-3-hydroxybenzoyl)amino)-, 4-((acetyloxy)methyl)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-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

  • 34391-10-1

System Generated Number

  • 0034391101

Structure Descriptors

InChI

1S/C45H49N3O10/c1-23-21-44-24(2)19-31-35(43(31,4)5)30(38(44)52)20-26(22-57-25(3)49)37(51)45(44,56)39(23)58-42(55)27-13-8-10-16-32(27)46-41(54)29-15-12-18-34(50)36(29)47-40(53)28-14-9-11-17-33(28)48(6)7/h8-18,20-21,24,30-31,35,37,39,50-51,56H,19,22H2,1-7H3,(H,46,54)(H,47,53)/t24-,30+,31-,35+,37-,39+,44+,45+/m1/s1

InChIKey

VTLYZTRDIRBJDH-BVRVJCKWSA-N

Smiles

C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)C)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5NC(=O)c6cccc(O)c6NC(=O)c7ccccc7N(C)C)C(=C[C@@]14C3=O)C)C2(C)C