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Substance Name: 12-O-(5-Azido-2-nitrobenzoylphorbol)-13-acetate
RN: 96657-96-4
InChIKey: IYQBSVIEHHARLS-GIEKCMSGSA-N

Molecular Formula

  • C29-H32-N4-O10

Molecular Weight

  • 596.5898
 
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Names and Synonyms

Name of Substance

  • 12-O-(5-Azido-2-nitrobenzoylphorbol)-13-acetate

Synonym

  • NABPA

Systematic Name

  • Benzoic acid, 5-azido-2-nitro-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-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,9abeta))-

Registry Numbers

CAS Registry Number

  • 96657-96-4

System Generated Number

  • 0096657964

Structure Descriptors

InChI

1S/C29H32N4O10/c1-13-8-21-27(38,23(13)36)11-16(12-34)9-19-22-26(4,5)29(22,43-15(3)35)24(14(2)28(19,21)39)42-25(37)18-10-17(31-32-30)6-7-20(18)33(40)41/h6-10,14,19,21-22,24,34,38-39H,11-12H2,1-5H3/t14-,19?,21-,22?,24-,27-,28-,29?/m1/s1

InChIKey

IYQBSVIEHHARLS-GIEKCMSGSA-N

Smiles

C[C@@H]1[C@@H](OC(=O)c2cc(ccc2[N+](=O)[O-])N=[N+]=[N-])C3(OC(=O)C)C(C4C=C(CO)C[C@@]5(O)[C@@H](C=C(C)C5=O)[C@@]14O)C3(C)C