Vitas-M small molecule compound

(8xi,9xi,14xi)-3-(acetyloxy)androst-5-ene-17-carboxylic acid

Catalog ID
STL525090
SMILES CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(=O)O)C)C1)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 C22H32O4 MW 360.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H,24,25)/t15?,16?,17?,18?,19?,21-,22-/m0/s1
InChIKey
WVHKCBDRQIXZLC-XEYOUOGVSA-N
Synonyms

(10~(R)13~(S))3acetyloxy1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthrene17carboxylicacid
(3S8S9S10R13S14S17S)3acetoxy1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthrene17carboxylicacid
(8xi9xi14xi)3(acetyloxy)androst5ene17carboxylicacid
44667873
CC(=O)O(C@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3CC(C@@H)2C(=O)O)C)C1)C
InChI=1SC22H32O4c113(23)261581021(2)14(1215)4516176719(20(24)25)22(173)11918(16)21h41519H512H213H3(H2425)t15?16?17?18?19?2122m0s1
MFCD00738758
ZINC000253501673
ZINC000253501676

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Available files

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