Vitas-M small molecule compound
(8xi,9xi,14xi,17xi,20xi)-cholesta-4,6-dien-3-one
Catalog ID
STL564738
SMILES CC(CCCC(C1CCC2[C@]1(C)CCC1C2C=CC2=CC(=O)CC[C@]12C)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 C27H42O MW 382.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42O/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/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19?,22?,23?,24?,25?,26-,27+/m0/s1InChIKey
XIWMRKFKSRYSIJ-RNMWJFICSA-NSynonyms
(10R13R)1013dimethyl17(6methylheptan2yl)1289111214151617decahydrocyclopenta(a)phenanthren3one
(8S10R13R17R)1013dimethyl17((R)6methylheptan2yl)891011121314151617decahydro1Hcyclopenta(a)phenanthren3(2H)one
(8xi9xi14xi17xi20xi)cholesta46dien3one
71775089
CC(CCC(C@H)((C@H)1CCC2(C@)1(C)CCC1(C@H)2C=CC2=CC(=O)CC(C@)12C)C)C
InChI=1SC27H42Oc118(2)76819(3)2311122422109201721(28)131526(204)25(22)141627(2324)5h91017192225H681116H215H3t19?22?23?24?25?2627+m0s1
ZINC000257345504
ZINC000306122649
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