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(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutanoate

Catalog ID
STL004771
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCC1=CCCCC1

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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 C33H47NO7 MW 569.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H47NO7/c1-31-15-12-23(35)18-22(31)8-9-24-25-13-16-33(40,32(25,2)19-26(36)30(24)31)27(37)20-41-29(39)11-10-28(38)34-17-14-21-6-4-3-5-7-21/h6,18,24-26,30,36,40H,3-5,7-17,19-20H2,1-2H3,(H,34,38)/t24?,25?,26?,30?,31-,32-,33-/m0/s1
InChIKey
OUQDGQSSCQXIJW-WPYIPTSUSA-N
Synonyms

(2((10R13S17R)1117dihydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)4(2(cyclohexen1yl)ethylamino)4oxobutanoate
(8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl4((2(cyclohex1en1yl)ethyl)amino)4oxobutanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((2(cyclohex1en1yl)ethyl)amino)4oxobutanoate
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)NCCC5=CCCCC5)O)C)O
InChI=1SC33H47NO7c131151223(35)1822(31)892425131633(4032(252)1926(36)30(24)31)27(37)204129(39)111028(38)341714216435721h6182426303640H357171920H212H3(H3438)t24?25?26?30?313233m0s1
MFCD07212700
O=C(OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCCC1=CCCCC1
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCCC1=CCCCC1
ZINC000253502317
ZINC000253502332

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Available files

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