Vitas-M small molecule compound
(5alpha,8xi,17xi,20xi)-cholest-2-en-3-yl acetate
Catalog ID
STL552775
SMILES CC(CCCC(C1CC[C@@H]2[C@]1(C)CC[C@H]1C2CC[C@@H]2[C@]1(C)CC=C(C2)OC(=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 C29H48O2 MW 428.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,19-20,22,24-27H,7-13,15-18H2,1-6H3/t20?,22-,24?,25?,26-,27-,28-,29+/m0/s1InChIKey
YXUGUUGNHVVXAI-GVEJHJCXSA-NSynonyms
((5~(S)9~(S)10~(S)13~(R)14~(S))1013dimethyl17(6methylheptan2yl)456789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)acetate
(5alpha8xi17xi20xi)cholest2en3ylacetate
(5S8R9S10S13R14S17R)1013dimethyl17((R)6methylheptan2yl)4567891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylacetate
135640853
CC(CCC(C@H)((C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC(C@@H)2(C@)1(C)CC=C(C2)OC(=O)C)C)C
InChI=1SC29H48O2c119(2)87920(3)25121326241110221823(3121(4)30)141628(225)27(24)151729(2526)6h141920222427H7131518H216H3t20?2224?25?26272829+m0s1
ZINC000002090449
ZINC001772493151
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