Vitas-M small molecule compound

(8xi,9xi,14xi,16alpha)-16-methyl-16,17-epoxypregn-4-ene-3,20-dione

Catalog ID
STL525111
SMILES O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1C[C@@]1([C@]2(O1)C(=O)C)C)C)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 C22H30O3 MW 342.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30O3/c1-13(23)22-20(3)10-8-17-16(18(20)12-21(22,4)25-22)6-5-14-11-15(24)7-9-19(14,17)2/h11,16-18H,5-10,12H2,1-4H3/t16?,17?,18?,19-,20-,21+,22-/m0/s1
InChIKey
DVBAEBPCDUVZPB-DTUIKXQISA-N
Synonyms

(4~(R)6~(S)7~(S)11~(R))6acetyl4711trimethyl5oxapentacyclo(8800^(27)0^(46)0^(1116))octadec15en14one
(6aR8aS8bS9aR10bR)8bacetyl6a8a9atrimethyl566a6b788a8b9a1010a10bdodecahydro1Hnaphtho(2145)indeno(12b)oxiren4(2H)one
(8xi9xi14xi16alpha)16methyl1617epoxypregn4ene320dione
135639020
InChI=1SC22H30O3c113(23)2220(3)1081716(18(20)1221(224)2522)65141115(24)7919(1417)2h111618H51012H214H3t16?17?18?192021+22m0s1
MFCD01547493
O=C1CC(C@)2(C(=C1)CC(C@@H)1C2CC(C@)2(C1C(C@@)1((C@)2(O1)C(=O)C)C)C)C
ZINC000004082035
ZINC001772491571

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Available files

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