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Vitas-M small molecule compound

(3beta)-3-hydroxypregna-5,16-dien-20-one

Catalog ID
STK801867
SMILES O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2C(=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 C21H30O2 MW 314.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1
InChIKey
YLFRRPUBVUAHSR-RRPFGEQOSA-N
Synonyms
1162-53-4
(3A)3HYDROXYPREGNA516DIEN20ONE
(3beta)3hydroxypregna516dien20one
1((3S8R9S10R13S14S)3hydroxy1013dimethyl234789101112131415dodecahydro1Hcyclopenta(a)phenanthren17yl)ethanone
1((3S8R9S10R13S14S)3hydroxy1013dimethyl23478911121415decahydro1Hcyclopenta(a)phenanthren17yl)ethanone
1162534
16DEHYDROPREGNENOLONE
16DEHYDROPREGNOLONE
3BETAHYDROXYPREGNA516DIEN20ONE
3HYDROXYPREGNA516DIEN20ONE
516PREGNADIEN3BETAOL20ONE
CC(=O)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
DELTA(16)PREGNENOLONE
DELTA16PREGNENOLONE
InChI=1SC21H30O2c113(22)1767181654141215(23)81020(142)19(16)91121(1718)3h461516181923H5712H213H3t151618192021+m0s1
MFCD03225461
O(C@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3CC=C2C(=O)C)C)C1)C
PREGNA516DIEN20ONE3BETAHYDROXY
PREGNA516DIEN20ONE3BETAHYDROXY(8CI)
PREGNA516DIEN20ONE3HYDROXY(3BETA)
PREGNA516DIEN20ONE3HYDROXY(3BETA)(9CI)
PREGNA516DIENOLONE
PREGNA53BETAHYDROXY
PREGNA53HYDROXY(3BETA)
ZINC000002122287
ZINC02122287
ZINC2122287

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Available files

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

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