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(3beta,8xi,9xi,14xi,16alpha,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)pregn-5-en-3-ol

Catalog ID
STK673676
SMILES O[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H]([C@@H]2/C(=N\Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/C)C[N+](=O)[O-])C)C1)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C28H37N5O7 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N5O7/c1-16(29-30-24-7-5-19(32(37)38)14-25(24)33(39)40)26-17(15-31(35)36)12-23-21-6-4-18-13-20(34)8-10-27(18,2)22(21)9-11-28(23,26)3/h4-5,7,14,17,20-23,26,30,34H,6,8-13,15H2,1-3H3/b29-16-/t17-,20-,21?,22?,23?,26-,27-,28-/m0/s1
InChIKey
SXJXXDFKTCCRQQ-AAXWXCQJSA-N
Synonyms

(3beta8xi9xi14xi16alpha20Z)20(2(24dinitrophenyl)hydrazinylidene)16(nitromethyl)pregn5en3ol
(3S10R13S16R17S)17((Z)N(24dinitroanilino)Cmethylcarbonimidoyl)1013dimethyl16(nitromethyl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3ol
3HYDROXY16(NITROMETHYL)PREGN5EN20ONE(24BISNITROPHENYL)HYDRAZONE
CC(=NNC1=C(C=C(C=C1)(N+)(=O)(O))(N+)(=O)(O))C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)C(N+)(=O)(O)
InChI=1SC28H37N5O7c116(2930247519(32(37)38)1425(24)33(39)40)2617(1531(35)36)12232164181320(34)81027(182)22(21)91128(2326)3h45714172023263034H681315H213H3b2916t172021?22?23?262728m0s1
MFCD01240462
O(C@H)1CC(C@)2(C(=CCC3C2CC(C@)2(C3C(C@H)((C@@H)2C(=NNc2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))C)C(N+)(=O)(O))C)C1)C
ZINC000008443144
ZINC000253505628

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Available files

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