Vitas-M small molecule compound

3-hydroxy-16,17-epoxypregnan-20-one

Catalog ID
STK366327
SMILES OC1CCC2(C(C1)CCC1C2CCC2(C1CC1C2(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 C21H32O3 MW 332.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32O3/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/h13-18,23H,4-11H2,1-3H3
InChIKey
MSGQPOBWYUXEOQ-UHFFFAOYSA-N
Synonyms

1((2aS4R6aS6bS8aS8bS9aR10aS10bR)4hydroxy6a8adimethylhexadecahydro1Hnaphtho(2145)indeno(12b)oxiren8byl)ethanone
3hydroxy1617epoxypregnan20one
CC(=O)C12C(O1)CC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C
InChI=1SC21H32O3c112(22)2118(2421)11171554131014(23)6819(132)16(15)7920(1721)3h131823H411H213H3
MFCD00381619
O(C@@H)1CC(C@)2((C@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1C(C@@H)1(C@)2(O1)C(=O)C)C)C
ZINC000242554665
ZINC000253498117

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Available files

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