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S-(10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate

Catalog ID
STK763178
SMILES CC(=O)SC1CC2=CC(=O)CCC2(C2C1C1CCC3(C1(CC2)C)CCC(=O)O3)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 C24H32O4S MW 416.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3
InChIKey
LXMSZDCAJNLERA-UHFFFAOYSA-N
Synonyms

17ALPHAPREGN4ENE21CARBOXYLICACID17HYDROXY7ALPHAMERCAPTO3OXOGAMMALACTONE
17ALPHAPREGN4ENE21CARBOXYLICACID17HYDROXY7ALPHAMERCAPTO3OXOGAMMALACTONEACETATE
17HYDROXY7ALPHAMERCAPTO3OXO17ALPHAPREGN4ENE21CARBOXYLICACIDGAMMALACTONE7ACETATE
17HYDROXY7ALPHAMERCAPTO3OXO17ALPHAPREGN4ENE21CARBOXYLICACIDGAMMALACTONEACETATE
3(3OXO7ALPHAACETYLTHIO17BETAHYDROXY4ANDROSTEN17ALPHAYL)PROPIONICACIDGAMMALACTONE
3(3OXO7ALPHAACETYLTHIO17BETAHYDROXYANDROST4EN17BETAYL)PROPIONICACIDLACTONE
CC(=O)S(C@@H)1CC2=CC(=O)CC(C@@)2(C2(C@@H)1C1CC(C@)3((C@)1(CC2)C)CCC(=O)O3)C
CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C
InChI=1SC24H32O4Sc114(25)291913151216(26)4822(152)175923(3)18(21(17)19)61024(23)11720(27)2824h12171921H41113H213H3
MFCD00082250
PREGN4ENE21CARBOXYLICACID7(ACETYLTHIO)17HYDROXY3OXOGAMMALACTONE(7ALPHA17ALPHA)
S((2R7R8R10R13S)1013dimethyl35dioxo12345678910111213141516hexadecahydro3Hspiro(cyclopenta(a)phenanthrene172furan)7yl)ethanethioate
S(1013dimethyl35dioxo12345678910111213141516hexadecahydro3Hspiro(cyclopenta(a)phenanthrene172furan)7yl)ethanethioate
S(1013dimethyl35dioxospiro(267891112141516decahydro1Hcyclopenta(a)phenanthrene172oxolane)7yl)ethanethioate
ZINC000238901393
ZINC000253501149

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Available files

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