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Substance Name: 12-O-(12(N)-Dansylaminododecanoyl)phorbol 12,20-diacetate
RN: 98897-16-6
InChIKey: CIBJUFUBRNRNTF-ZGXFIIIUSA-N

Molecular Formula

  • C48-H66-N2-O11-S

Molecular Weight

  • 879.118
 
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Names and Synonyms

Name of Substance

  • 12-O-(12(N)-Dansylaminododecanoyl)phorbol 12,20-diacetate

Synonym

  • Dansyl-tpa-20-acetate

Systematic Name

  • Dodecanoic acid, 12-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-, 9a-(acetyloxy)-3-((acetyloxy)methyl)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Registry Numbers

CAS Registry Number

  • 98897-16-6

System Generated Number

  • 0098897166

Structure Descriptors

InChI

1S/C48H66N2O11S/c1-29-26-36-41(42(29)54)43(55)33(28-59-31(3)51)27-37-44-46(5,6)48(44,61-32(4)52)45(30(2)47(36,37)56)60-40(53)24-16-14-12-10-9-11-13-15-17-25-49-62(57,58)39-23-19-20-34-35(39)21-18-22-38(34)50(7)8/h18-23,26-27,30,36-37,41,43-45,49,55-56H,9-17,24-25,28H2,1-8H3/t30-,36-,37+,41?,43-,44?,45-,47+,48?/m1/s1

InChIKey

CIBJUFUBRNRNTF-ZGXFIIIUSA-N

Smiles

c1(S(NCCCCCCCCCCCC(O[C@@H]2[C@@H](C)[C@@]3([C@H]([C@@H]4[C@@]2(C4(C)C)OC(=O)C)C=C([C@H]([C@@H]2[C@H]3C=C(C)C2=O)O)COC(C)=O)O)=O)(=O)=O)cccc2c1cccc2N(C)C