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12-O-(5-Azido-2-Nitrobenzoylphorbol)-13-Acetate
[CAS# 96657-96-4]

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CAS#: 96657-96-4
Product: 12-O-(5-Azido-2-Nitrobenzoylphorbol)-13-Acetate
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Identification
Name 12-O-(5-Azido-2-Nitrobenzoylphorbol)-13-Acetate
Synonyms 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)
Molecular Structure CAS#: 96657-96-4, 12-O-(5-Azido-2-Nitrobenzoylphorbol)-13-Acetate
Molecular Formula C29H32N4O10
Molecular Weight 596.59
CAS Registry Number 96657-96-4
SMILES [N+](=NC1=CC(=C([N+]([O-])=O)C=C1)C(O[C@H]5C2(OC(=O)C)C(C2(C)C)C4[C@@](O)([C@H]3[C@@](O)(C(=O)C(=C3)C)CC(=C4)CO)[C@@H]5C)=O)=[N-]
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
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