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(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 4-oxo-4-[(tetrahydrofuran-2-ylmethyl)amino]butanoate

Catalog ID
STL537633
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)NCC1CCCO1

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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 C30H43NO8 MW 545.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H43NO8/c1-28-11-9-19(32)14-18(28)5-6-21-22-10-12-30(37,29(22,2)15-23(33)27(21)28)24(34)17-39-26(36)8-7-25(35)31-16-20-4-3-13-38-20/h14,20-23,27,33,37H,3-13,15-17H2,1-2H3,(H,31,35)/t20?,21?,22?,23?,27?,28-,29-,30-/m0/s1
InChIKey
VXZATIZJXWWKRJ-UJFILTCVSA-N
Synonyms

(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4oxo4(oxolan2ylmethylamino)butanoate
(8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl4oxo4((tetrahydrofuran2ylmethyl)amino)butanoate
135639494
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4oxo4(((tetrahydrofuran2yl)methyl)amino)butanoate
InChI=1SC30H43NO8c12811919(32)1418(28)562122101230(3729(222)1523(33)27(21)28)24(34)173926(36)8725(35)31162043133820h142023273337H3131517H212H3(H3135)t20?21?22?23?27?282930m0s1
O=C(CCC(=O)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)NCC1CCCO1
ZINC001772492602
ZINC001772492605

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Available files

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