Vitas-M small molecule compound

17,21-dihydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione

Catalog ID
STL146315
SMILES OCC(=O)C1(O)C(C)CC2C1(C)CC1OC31C2CCC1=CC(=O)C=CC31C

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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 C22H28O5 MW 372.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3
InChIKey
GBDXNHBVYAMODG-UHFFFAOYSA-N
Synonyms

(4aS4bR5aR6aS7R8R9aS9bS)7hydroxy7(2hydroxyacetyl)4a6a8trimethyl5a66a7899a9b1011decahydrocyclopenta(12)phenanthro(44ab)oxiren2(4aH)one
16ALPHAMETHYLEPOXIDE
1721dihydroxy16methyl911epoxypregna14diene320dione
CC1CC2C3CCC4=CC(=O)C=CC4(C35C(O5)CC2(C1(C(=O)CO)O)C)C
InChI=1SC22H28O5c112816155413914(24)6719(132)22(15)18(2722)1020(163)21(1226)17(25)1123h679121516182326H4581011H213H3
MFCD20734736
OCC(=O)(C@@)1(O)(C@H)(C)C(C@@H)2(C@)1(C)C(C@H)1O(C@)31(C@H)2CCC1=CC(=O)C=C(C@)31C
ZINC000096030284
ZINC000253527834

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Available files

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