Vitas-M small molecule compound

cholest-4-en-3-one

Catalog ID
STL372847
SMILES CC(CCCC(C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)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 C27H44O MW 384.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3
InChIKey
NYOXRYYXRWJDKP-UHFFFAOYSA-N
Synonyms
601-57-0
(8S9S10R13R14S17R)1013dimethyl17((R)6methylheptan2yl)67891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3(2H)one
(9BETA17ALPHA)CHOLEST4EN3ONE
1013dimethyl17(6methylheptan2yl)126789111214151617dodecahydrocyclopenta(a)phenanthren3one
4CHOLESTENONE
601570
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
CC(CCC(C@H)((C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)C)C
cholest4en3one
CHOLESTENONE
DELTA4CHOLESTEN3ONE
InChI=1SC27H44Oc118(2)76819(3)2311122422109201721(28)131526(204)25(22)141627(2324)5h17192225H616H215H3
MFCD00277694
ZINC000043756688
ZINC000253527877

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Available files

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