Vitas-M small molecule compound
(3E,5xi,9xi,13xi,17xi,18xi)-3-(hydroxyimino)lup-20(29)-en-28-oic acid
Catalog ID
STL526269
SMILES O/N=C/1\CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)C(=O)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 C30H47NO3 MW 469.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H47NO3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31-34)26(3,4)21(27)11-14-29(22,28)7/h19-22,24,34H,1,8-17H2,2-7H3,(H,32,33)/b31-23+/t19-,20?,21?,22?,24?,27-,28+,29+,30?/m0/s1InChIKey
YEKUREUPHOHRBM-JCYLMOBSSA-NSynonyms
(1~(R)5~(a)~(R)5~(b)~(R)9~(E)11~(a)~(R))9hydroxyimino5~(a)5~(b)8811~(a)pentamethyl1prop1en2yl2345677~(a)101111~(b)121313~(a)13~(b)tetradecahydro1~(H)cyclopenta(a)chrysene3~(a)carboxylicacid
(1R5aR5bR11aRE)9(hydroxyimino)5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysene3acarboxylicacid
(3E5xi9xi13xi17xi18xi)3(hydroxyimino)lup20(29)en28oicacid
16396820
InChI=1SC30H47NO3c118(2)19101530(25(32)33)171628(6)20(24(19)30)892227(5)131223(3134)26(34)21(27)111429(2228)7h19222434H1817H227H3(H3233)b3123+t1920?21?22?24?2728+29+30?m0s1
MFCD02059160
ON=C1CC(C@)2(C(C1(C)C)CC(C@@)1(C2CCC2(C@@)1(C)CCC1(C2(C@@H)(CC1)C(=C)C)C(=O)O)C)C
ZINC000012659498
ZINC000253500156
Check stock
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Check stock on Vitas-MAvailable files
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