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Substance Name: 12Adt-asp
RN: 1172636-20-2
UNII: U4U7MXY86U
InChIKey: JFUXBZKLZFCZME-WFETZLHTSA-N

Molecular Formula

  • C46-H72-N2-O15

Molecular Weight

  • 893.0738
 
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Names and Synonyms

Name of Substance

  • 12Adt-asp

Synonyms

  • 12Adt-asp
  • Aspartyl-12adt
  • UNII-U4U7MXY86U

Registry Numbers

CAS Registry Number

  • 1172636-20-2

FDA UNII

  • U4U7MXY86U

System Generated Number

  • 1172636202

Structure Descriptors

InChI

1S/C46H72N2O15/c1-8-10-11-17-20-24-35(52)60-39-37-36(29(4)38(39)61-42(55)28(3)9-2)40-46(58,45(7,57)43(56)62-40)32(27-44(37,6)63-30(5)49)59-34(51)23-21-18-15-13-12-14-16-19-22-25-48-33(50)26-31(47)41(53)54/h9,31-32,37-40,57-58H,8,10-27,47H2,1-7H3,(H,48,50)(H,53,54)/b28-9-/t31-,32-,37+,38-,39-,40-,44-,45+,46+/m0/s1

InChIKey

JFUXBZKLZFCZME-WFETZLHTSA-N

Smiles

CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)C[C@@H](C(=O)O)N)([C@](C(=O)O3)(C)O)O