Vitas-M small molecule compound

(5xi,6alpha,8xi,9beta,17xi,24R)-20,24-epoxy-9,19-cyclolanostane-3,6,16,25-tetrayl tetraacetate

Catalog ID
STL524500
SMILES CC(=O)OC1C[C@@]2([C@](C1[C@]1(C)CC[C@@H](O1)C(OC(=O)C)(C)C)(C)CC[C@@]13C2C[C@H](OC(=O)C)C2[C@]3(C1)CCC(C2(C)C)OC(=O)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 C38H58O9 MW 658.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H58O9/c1-21(39)43-25-18-27-35(10)19-26(44-22(2)40)31(36(11)14-12-29(47-36)33(7,8)46-24(4)42)34(35,9)16-17-37(27)20-38(37)15-13-28(45-23(3)41)32(5,6)30(25)38/h25-31H,12-20H2,1-11H3/t25-,26?,27?,28?,29+,30?,31?,34+,35-,36-,37-,38+/m0/s1
InChIKey
NCVGAKQRICNQBA-AKTADVGDSA-N
Synonyms

((1~(S)3~(R)9~(S)12~(S)16~(R))914diacetyloxy15((2~(S)5~(R))5(2acetyloxypropan2yl)2methyloxolan2yl)771216tetramethyl6pentacyclo(9700^(13)0^(38)0^(1216))octadecanyl)acetate
(2aR3R4S5aS5bS7S9S11aR12aS)3((2R5S)5(2acetoxypropan2yl)2methyltetrahydrofuran2yl)2a5a88tetramethylhexadecahydrocyclopenta(a)cyclopropa(e)phenanthrene479triyltriacetate
(5xi6alpha8xi9beta17xi24R)2024epoxy919cyclolanostane361625tetrayltetraacetate
44661455
CC(=O)O(C@H)1C(C@@)2((C@)((C@H)1(C@@)1(C)CC(C@H)(O1)C(OC(=O)C)(C)C)(C)CC(C@@)13(C@H)2C(C@H)(OC(=O)C)C2(C@)3(C1)CC(C@@H)(C2(C)C)OC(=O)C)C
InChI=1SC38H58O9c121(39)4325182735(10)1926(4422(2)40)31(36(11)141229(4736)33(78)4624(4)42)34(359)161737(27)2038(37)151328(4523(3)41)32(56)30(25)38h2531H1220H2111H3t2526?27?28?29+30?31?34+35363738+m0s1
MFCD01881872
ZINC000253522701
ZINC000253522704

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Available files

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