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

Catalog ID
STL527244
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(cc1)O

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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 C33H43NO7 MW 565.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43NO7/c1-31-15-11-24(36)19-22(31)5-8-25-26(31)12-16-32(2)27(25)13-17-33(32,40)28(37)20-41-30(39)10-9-29(38)34-18-14-21-3-6-23(35)7-4-21/h3-4,6-7,19,25-27,35,40H,5,8-18,20H2,1-2H3,(H,34,38)/t25?,26?,27?,31-,32-,33-/m0/s1
InChIKey
JNMJRVOWJVRALJ-RFSZYQAGSA-N
Synonyms

(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(2(4hydroxyphenyl)ethylamino)4oxobutanoate
(8xi9xi14xi)17hydroxy320dioxopregn4en21yl4((2(4hydroxyphenyl)ethyl)amino)4oxobutanoate
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((4hydroxyphenethyl)amino)4oxobutanoate
44665976
InChI=1SC33H43NO7c131151124(36)1922(31)582526(31)121632(2)27(25)131733(3240)28(37)204130(39)10929(38)341814213623(35)7421h34671925273540H581820H212H3(H3438)t25?26?27?313233m0s1
MFCD03267496
O=C(CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)NCCc1ccc(cc1)O
ZINC000253501815
ZINC000253501823

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Available files

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