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(9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-oxo-4-[(tetrahydrofuran-2-ylmethyl)amino]butanoate

Catalog ID
STL003393
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1[C@H]2CCC2=CC(=O)C=C[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 C30H41NO8 MW 543.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H41NO8/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/h9,11,14,20-23,27,33,37H,3-8,10,12-13,15-17H2,1-2H3,(H,31,35)/t20?,21-,22?,23?,27?,28-,29-,30-/m0/s1
InChIKey
VZAWVTSMJHPGPY-SLRPMEHYSA-N
Synonyms

(2((8S10R13S17R)1117dihydroxy1013dimethyl3oxo7891112141516octahydro6Hcyclopenta(a)phenanthren17yl)2oxoethyl)4oxo4(oxolan2ylmethylamino)butanoate
(9xi14xi)1117dihydroxy320dioxopregna14dien21yl4oxo4((tetrahydrofuran2ylmethyl)amino)butanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl4oxo4(((tetrahydrofuran2yl)methyl)amino)butanoate
CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCC(=O)NCC4CCCO4)O)CCC5=CC(=O)C=CC35C)O
InChI=1SC30H41NO8c12811919(32)1418(28)562122101230(3729(222)1523(33)27(21)28)24(34)173926(36)8725(35)31162043133820h911142023273337H381012131517H212H3(H3135)t20?2122?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)C=C(C@)12C)NCC1CCCO1
O=C(CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1(C@H)2CCC2=CC(=O)C=C(C@)12C)NCC1CCCO1
ZINC000257173736
ZINC000257173739

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Available files

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