Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16xi,17xi)-spirostan-3-yl butanoate
Catalog ID
STL525357
SMILES CCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC1C2[C@H](C)[C@]2(O1)CCC(CO2)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 C31H50O4 MW 486.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H50O4/c1-6-7-27(32)34-22-11-13-29(4)21(16-22)8-9-23-24(29)12-14-30(5)25(23)17-26-28(30)20(3)31(35-26)15-10-19(2)18-33-31/h19-26,28H,6-18H2,1-5H3/t19?,20-,21-,22?,23?,24?,25?,26?,28?,29-,30-,31+/m0/s1InChIKey
BNSKYFUGMLMCLM-BCQFTKNVSA-NSynonyms
((6~(R)7~(S)9~(S)13~(S)18~(S))57913tetramethylspiro(5oxapentacyclo(10800^(29)0^(48)0^(1318))icosane62oxane)16yl)butanoate
(4R5R6aS6bS8aS8bR9S11aS12aS12bR)56a8a9tetramethyldocosahydrospiro(naphtho(2145)indeno(21b)furan102pyran)4ylbutyrate
(5alpha8xi9xi14xi16xi17xi)spirostan3ylbutanoate
44668158
CCCC(=O)O(C@@H)1CC(C@)2(C(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1C(C@H)1(C@@H)2(C@H)(C)C2(O1)CC(C@H)(CO2)C)C)C
InChI=1SC31H50O4c16727(32)3422111329(4)21(1622)892324(29)121430(5)25(23)172628(30)20(3)31(3526)151019(2)183331h192628H618H215H3t19?202122?23?24?25?26?28?293031+m0s1
MFCD02056938
ZINC000252346778
ZINC000253498162
Check stock
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Check stock on Vitas-MAvailable files
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