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Vitas-M small molecule compound

(3beta,16alpha)-3-hydroxy-16,17-epoxypregn-5-en-20-one

Catalog ID
STK801868
SMILES O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@@H]3[C@]2(O3)C(=O)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 C21H30O3 MW 330.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30O3/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/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
InChIKey
UQVIXFCYKBWZPJ-XXHSLLPRSA-N
Synonyms
974-23-2
(3beta16alpha)3hydroxy1617epoxypregn5en20one
1((4R6aR8aS8bS9aR10bR)4hydroxy6a8adimethyl34566a6b788a8b9a1010a10btetradecahydro1Hnaphtho(2145)indeno(12b)oxiren8byl)ethanone
16A17AEPOXYPREGNENOLONE
16A17EPOXY3BHYDROXYPREGN5EN20ONE
16ALPHA17ALPHAEPOXY3BETAHYDROXY5PREGNEN20ONE
16ALPHA17ALPHAEPOXY3BETAHYDROXYPREGN5EN20ONE
16ALPHA17ALPHAEPOXYPREGNENOLONE
16ALPHA17ALPHAOXIDOPREGNENOLONE
3AHYDROXY16A17AEPOXY5PREGNEN20ONE
3BETAHYDROXY16ALPHA17ALPHAEPOXY5PREGNEN20ONE
5PREGNEN16ALPHA17ALPHAEPOXY3BETAOL20ONE
974232
CC(=O)C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C
InChI=1SC21H30O3c112(22)2118(2421)11171554131014(23)6819(132)16(15)7920(1721)3h4141823H511H213H3t1415+161718+192021+m0s1
MFCD03225432
O(C@@H)1CC(C@)2(C(=CC(C@@H)3C2CC(C@)2(C3C(C@@H)3(C@)2(O3)C(=O)C)C)C1)C
O(C@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3C(C@@H)3(C@)2(O3)C(=O)C)C)C1)C
PREGN5EN20ONE16ALPHA17EPOXY3BETAHYDROXY(8CI)
ZINC000003982450
ZINC03982450
ZINC3982450

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Available files

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