Vitas-M small molecule compound
(2alpha,5alpha,8xi,9xi,14xi,16xi,17xi)-5,6-dihydroxyspirostan-2,3-diyl dibenzoate
Catalog ID
STL524956
SMILES CC1CC[C@@]2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC(O)[C@@]3([C@](C1CC2)(C)C[C@H](C(C3)OC(=O)c1ccccc1)OC(=O)c1ccccc1)O)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 C41H52O8 MW 672.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H52O8/c1-24-15-18-41(46-23-24)25(2)35-31(49-41)20-30-28-19-34(42)40(45)22-33(48-37(44)27-13-9-6-10-14-27)32(47-36(43)26-11-7-5-8-12-26)21-39(40,4)29(28)16-17-38(30,35)3/h5-14,24-25,28-35,42,45H,15-23H2,1-4H3/t24?,25-,28?,29?,30?,31?,32+,33?,34InChIKey
ACEISPCSJSPBDG-AAMMTPLASA-NSynonyms
((6~(R)7~(S)9~(S)13~(R)15~(R)18~(R))16benzoyloxy1819dihydroxy57913tetramethylspiro(5oxapentacyclo(10800^(29)0^(48)0^(1318))icosane62oxane)15yl)benzoate
(2alpha5alpha8xi9xi14xi16xi17xi)56dihydroxyspirostan23diyldibenzoate
(2R2aR2R4R5R5R6aR8aS8bR9S11aS12bS)22adihydroxy56a8a9tetramethyldocosahydrospiro(naphtho(2145)indeno(21b)furan102pyran)45diyldibenzoate
44661443
C(C@@H)1CC(C@@)2(OC1)O(C@@H)1(C@H)((C@@H)2C)(C@@)2(C(C1)(C@@H)1C(C@@H)(O)(C@@)3((C@)(C1CC2)(C)C(C@H)((C@@H)(C3)OC(=O)c1ccccc1)OC(=O)c1ccccc1)O)C
InChI=1SC41H52O8c124151841(462324)25(2)3531(4941)2030281934(42)40(45)2233(4837(44)271396101427)32(4736(43)26117581226)2139(404)29(28)161738(3035)3h514242528354245H1523H214H3t24?2528?29?30?31?32+33?34?35?3839+4041+m0s1
MFCD01881885
ZINC000253504134
ZINC000253504150
Check stock
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