Vitas-M small molecule compound
(5xi,9xi,13xi,17xi,18xi)-19,28-epoxyoleanan-3-yl trifluoroacetate
Catalog ID
STL526460
SMILES O=C(C(F)(F)F)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC1)C(C)(C)CC3)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 C32H49F3O3 MW 538.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H49F3O3/c1-26(2)14-16-31-17-15-29(6)19(23(31)24(26)37-18-31)8-9-21-28(5)12-11-22(38-25(36)32(33,34)35)27(3,4)20(28)10-13-30(21,29)7/h19-24H,8-18H2,1-7H3/t19?,20?,21?,22?,23?,24?,28-,29+,30+,31?/m0/s1InChIKey
PADGYJZYTIBEJC-OSGHGBENSA-NSynonyms
((4~(R)5~(R)13~(R))4599132020heptamethyl24oxahexacyclo(17320^(118)0^(417)0^(514)0^(813))tetracosan10yl)222trifluoroacetate
(5xi9xi13xi17xi18xi)1928epoxyoleanan3yltrifluoroacetate
(6aR6bR12aR)226a6b9912aheptamethylicosahydro1H14a(epoxymethano)picen10yl222trifluoroacetate
16396776
InChI=1SC32H49F3O3c126(2)141631171529(6)19(23(31)24(26)371831)892128(5)121122(3825(36)32(3334)35)27(34)20(28)101330(2129)7h1924H818H217H3t19?20?21?22?23?24?2829+30+31?m0s1
MFCD02058712
O=C(C(F)(F)F)OC1CC(C@)2(C(C1(C)C)CC(C@@)1(C2CCC2(C@@)1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C
ZINC000245338872
ZINC000245338875
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