Vitas-M small molecule compound
(3beta,16alpha)-3,17-dihydroxy-16-methylpregn-5-en-20-one
Catalog ID
STK801837
SMILES O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]([C@]2(O)C(=O)C)C)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 C22H34O3 MW 346.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h5,13,16-19,24-25H,6-12H2,1-4H3/t13-,16+,17-,18+,19+,20+,21+,22+/m1/s1InChIKey
MDCCMZGGNCMFPQ-HQURQYGRSA-NSynonyms
4927-26-8(3A16A)317DIHYDROXY16METHYLPREGN5EN20ONE
(3beta16alpha)317dihydroxy16methylpregn5en20one
1((3S8R9S10R13S14S16R17R)317dihydroxy101316trimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren17yl)ethanone
1((3S8R9S10R13S14S16R17R)317dihydroxy101316trimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)ethanone
3BETA17DIHYDROXY16ALPHAMETHYLPREGN5EN20ONE
4927268
CC1CC2C3CC=C4CC(CCC4(C3CCC2(C1(C(=O)C)O)C)C)O
InChI=1SC22H34O3c11311191765151216(24)7920(153)18(17)81021(194)22(1325)14(2)23h51316192425H612H214H3t1316+1718+19+20+21+22+m1s1
MFCD06738084
O(C@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3C(C@H)((C@)2(O)C(=O)C)C)C)C1)C
ZINC000003860495
ZINC03860495
ZINC3860495
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.