Vitas-M small molecule compound
(3R,4R,5R,6R)-2-(((2R,3S,4S,5R)-2-(((2'R,4R,4'S,5'R,6R,6aR,8aS,9S)-4,4'-dihydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-6-yl)oxy)-4,5-dihydroxytetra
Catalog ID
STL564436
SMILES O[C@H]1C[C@@H](O[C@@H]2OC[C@@H](C(C2O[C@@H]2OC(C)[C@@H](C(C2O)O)O)O)O)[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2[C@H](C)[C@@]2(O3)OC[C@H](C(C2)O)C)C)C1)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 C38H60O13 MW 724.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H60O13/c1-16-14-47-38(13-24(16)40)17(2)28-26(51-38)12-23-21-7-6-19-10-20(39)11-27(37(19,5)22(21)8-9-36(23,28)4)49-35-33(30(43)25(41)15-46-35)50-34-32(45)31(44)29(42)18(3)48-34/h6,16-18,20-35,39-45H,7-15H2,1-5H3/t16-,17+,18?,20-,21?,22?,23?,24?InChIKey
CEUOJNPNKKLCDB-UHKICXHLSA-NSynonyms
(2S5R)2((2R5R)2((5R6R7S9S13R14R16R)416dihydroxy57913tetramethylspiro(5oxapentacyclo(108002904801318)icos18ene62oxane)14yl)oxy45dihydroxyoxan3yl)oxy6methyloxane345triol
44662955
InChI=1SC38H60O13c116144738(1324(16)40)17(2)2826(5138)12232176191020(39)1127(37(195)22(21)8936(2328)4)493533(30(43)25(41)154635)503432(45)31(44)29(42)18(3)4834h6161820353945H715H215H3t1617+18?2021?22?23?24?2526?2728?29+30?31?32?33?34+3536+37+38m1s1
MFCD32651470
O(C@H)1C(C@@H)(O(C@H)2OC(C@H)(C(C2O(C@@H)2OC(C)(C@@H)(C(C2O)O)O)O)O)(C@)2(C(=CC(C@@H)3C2CC(C@)2(C3C(C@H)3(C@@H)2(C@H)(C)(C@@)2(O3)OC(C@@H)((C@H)(C2)O)C)C)C1)C
ZINC000253504375
ZINC000253504390
Check stock
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Check stock on Vitas-MAvailable files
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