Vitas-M small molecule compound

(3E,5xi,9xi,13xi,17xi,18xi)-N-hydroxy-19,28-epoxyoleanan-3-imine

Catalog ID
STL540964
SMILES O/N=C/1\CC[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 C30H49NO2 MW 455.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H49NO2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)33-18-30)8-9-21-27(5)12-11-22(31-32)26(3,4)20(27)10-13-29(21,28)7/h19-21,23-24,32H,8-18H2,1-7H3/b31-22+/t19?,20?,21?,23?,24?,27-,28+,29+,30?/m0/s1
InChIKey
QXSNOJKVEVATLM-FBYKGHARSA-N
Synonyms

(~(N)~(E))~(N)((4~(R)5~(R)13~(R))4599132020heptamethyl24oxahexacyclo(17320^(118)0^(417)0^(514)0^(813))tetracosan10ylidene)hydroxylamine
(3E5xi9xi13xi17xi18xi)Nhydroxy1928epoxyoleanan3imine
(6aR6bR12aRE)226a6b9912aheptamethyloctadecahydro1H14a(epoxymethano)picen10(2H)oneoxime
16399501
InChI=1SC30H49NO2c125(2)141630171528(6)19(23(30)24(25)331830)892127(5)121122(3132)26(34)20(27)101329(2128)7h1921232432H818H217H3b3122+t19?20?21?23?24?2728+29+30?m0s1
MFCD02059108
ON=C1CC(C@)2(C(C1(C)C)CC(C@@)1(C2CCC2(C@@)1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C
ZINC000100755860
ZINC000252694861

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Available files

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