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ethyl (2Z)-2-[(8xi,9xi,14xi,16alpha,20Z)-3,16-bis(acetyloxy)-17-hydroxypregn-5-en-20-ylidene]hydrazinecarboxylate

Catalog ID
STL525527
SMILES CCOC(=O)N/N=C(\[C@@]1(O)[C@H](OC(=O)C)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)/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 C28H42N2O7 MW 518.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42N2O7/c1-7-35-25(33)30-29-16(2)28(34)24(37-18(4)32)15-23-21-9-8-19-14-20(36-17(3)31)10-12-26(19,5)22(21)11-13-27(23,28)6/h8,20-24,34H,7,9-15H2,1-6H3,(H,30,33)/b29-16-/t20?,21?,22?,23?,24-,26+,27+,28-/m1/s1
InChIKey
DHSSQAPJYULMBQ-HICZKZTPSA-N
Synonyms

((10~(R)13~(S)16~(R)17~(R))16acetyloxy17((~(Z))~(N)(ethoxycarbonylamino)~(C)methylcarbonimidoyl)17hydroxy1013dimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren3yl)acetate
(10R13S16R17R)17((Z)1(2(ethoxycarbonyl)hydrazono)ethyl)17hydroxy1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthrene316diyldiacetate
16395728
CCOC(=O)NN=C((C@@)1(O)(C@H)(OC(=O)C)CC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OC(=O)C)C
ethyl(2Z)2((8xi9xi14xi16alpha20Z)316bis(acetyloxy)17hydroxypregn5en20ylidene)hydrazinecarboxylate
InChI=1SC28H42N2O7c173525(33)302916(2)28(34)24(3718(4)32)15232198191420(3617(3)31)101226(195)22(21)111327(2328)6h8202434H7915H216H3(H3033)b2916t20?21?22?23?2426+27+28m1s1
MFCD01546161
ZINC000012656018
ZINC000253499244

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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