Vitas-M small molecule compound
(3alpha,8xi,9xi,14xi,16xi,17xi,20xi,22xi)-spirostan-3-yl 3-methylpentanoate
Catalog ID
STL525328
SMILES CCC(CC(=O)O[C@@H]1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CC1C2C(C)C2(O1)CCC(CO2)C)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 C33H54O4 MW 514.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H54O4/c1-7-20(2)16-29(34)36-24-11-13-31(5)23(17-24)8-9-25-26(31)12-14-32(6)27(25)18-28-30(32)22(4)33(37-28)15-10-21(3)19-35-33/h20-28,30H,7-19H2,1-6H3/t20?,21?,22?,23?,24-,25?,26?,27?,28?,30?,31+,32+,33?/m1/s1InChIKey
GQYLFZJJGLYNRD-YUUQVYDDSA-NSynonyms
((9~(S)13~(S)16~(R))57913tetramethylspiro(5oxapentacyclo(10800^(29)0^(48)0^(1318))icosane62oxane)16yl)3methylpentanoate
(2aS4R5R6aS8aS8bR9S11aS12bR)56a8a9tetramethyldocosahydrospiro(naphtho(2145)indeno(21b)furan102pyran)4yl3methylpentanoate
(3alpha8xi9xi14xi16xi17xi20xi22xi)spirostan3yl3methylpentanoate
75531844
CCC(CC(=O)O(C@@H)1CC(C@)2((C@H)(C1)CC(C@@H)1C2CC(C@)2(C1C(C@H)1(C@@H)2(C@H)(C)C2(O1)CC(C@H)(CO2)C)C)C)C
InChI=1SC33H54O4c1720(2)1629(34)3624111331(5)23(1724)892526(31)121432(6)27(25)182830(32)22(4)33(3728)151021(3)193533h202830H719H216H3t20?21?22?23?2425?26?27?28?30?31+32+33?m1s1
MFCD01547046
ZINC000253534412
ZINC000253534415
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.