Vitas-M small molecule compound

(16alpha)-16,17-epoxypregn-4-ene-3,20-dione

Catalog ID
STK801869
SMILES O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]1[C@]2(O1)C(=O)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 C21H28O3 MW 328.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
InChIKey
LHNVKVKZPHUYQO-SRWWVFQWSA-N
Synonyms
1097-51-4
(16alpha)1617epoxypregn4ene320dione
(6aR6bS8aS8bS9aR10aS10bR)8bacetyl6a8adimethyl566a6b788a8b9a1010a10bdodecahydro1Hnaphtho(2145)indeno(12b)oxiren4(2H)one
1097514
16A17AEPOXY4PREGNEN320DIONE
16A17AEPOXYPROGESTERONE
16ALPHA17ALPHAEPOXY4PREGNEN320DIONE
16ALPHA17ALPHAEPOXYDELTA4PREGNEN320DIONE
16ALPHA17ALPHAEPOXYPROGESTERONE
16ALPHA17EPOXYPROGESTERONE
CC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C
InChI=1SC21H28O3c112(22)2118(2421)11171554131014(23)6819(132)16(15)7920(1721)3h101518H4911H213H3t1516+17+1819+20+21m1s1
MFCD03547956
O=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1C(C@@H)1(C@)2(O1)C(=O)C)C)C
ZINC000003982458
ZINC03982458
ZINC3982458

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.