Vitas-M small molecule compound
(3alpha,5alpha,8xi,17xi,20xi)-6-oxocholestane-3,5-diyl diacetate
Catalog ID
STL525350
SMILES CC(CCCC(C1CC[C@@H]2[C@]1(C)CC[C@H]1C2CC(=O)[C@@]2([C@]1(C)CC[C@H](C2)OC(=O)C)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 C31H50O5 MW 502.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H50O5/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(34)31(36-22(5)33)18-23(35-21(4)32)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-27H,8-18H2,1-7H3/t20?,23-,24?,25?,26+,27+,29-,30-,31+/m1/s1InChIKey
BWFWCMWOMFBESH-IFMFYFBQSA-NSynonyms
((3~(R)5~(R)9~(S)10~(R)13~(R)14~(S))5acetyloxy1013dimethyl17(6methylheptan2yl)6oxo234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)acetate
(3alpha5alpha8xi17xi20xi)6oxocholestane35diyldiacetate
(3R5R8S9S10R13R14S17R)1013dimethyl17((R)6methylheptan2yl)6oxohexadecahydro1Hcyclopenta(a)phenanthrene35diyldiacetate
135639047
CC(CCC(C@H)((C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC(=O)(C@@)2((C@)1(C)CC(C@H)(C2)OC(=O)C)OC(=O)C)C)C
InChI=1SC31H50O5c119(2)981020(3)25111226241728(34)31(3622(5)33)1823(3521(4)32)131630(317)27(24)141529(2526)6h19202327H818H217H3t20?2324?25?26+27+293031+m1s1
MFCD01547740
ZINC000009007546
ZINC000253501835
Check stock
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Check stock on Vitas-MAvailable files
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