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Substance Name: 12-O-(12-N-Dansylaminododecanoyl)phorbol
RN: 98897-17-7
InChIKey: XEBYKMZACZDPNP-JUVIYOJNSA-N

Molecular Formula

  • C44-H63-N2-O9-S

Molecular Weight

  • 795.0448
 
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Names and Synonyms

Name of Substance

  • 12-O-(12-N-Dansylaminododecanoyl)phorbol

Synonym

  • Dansyl-tpa-13-desacetate

Systematic Name

  • Dodecanoic acid, 12-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-, 1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-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

  • 98897-17-7

System Generated Number

  • 0098897177

Structure Descriptors

InChI

1S/C44H62N2O9S/c1-28-24-36-42(50,39(28)49)26-30(27-47)25-33-38-41(3,4)44(38,52)40(29(2)43(33,36)51)55-37(48)22-14-12-10-8-7-9-11-13-15-23-45-56(53,54)35-21-17-18-31-32(35)19-16-20-34(31)46(5)6/h16-21,24-25,29,33,36,38,40,45,47,50-52H,7-15,22-23,26-27H2,1-6H3/t29-,33+,36-,38?,40-,42-,43-,44?/m1/s1

InChIKey

XEBYKMZACZDPNP-JUVIYOJNSA-N

Smiles

C[C@@H]1[C@H](C2(C(C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)O)OC(=O)CCCCCCCCCCCNS(=O)(=O)c5cccc6c5cccc6N(C)C