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Vitas-M small molecule compound

(3beta)-3-hydroxy-18-methyl-11-oxo-N-propylolean-12-en-30-amide

Catalog ID
STL008826
SMILES CCCNC(=O)[C@@]1(C)CC[C@]2([C@](C1)(C)C1=CC(=O)[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)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 C34H55NO3 MW 525.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H55NO3/c1-10-19-35-27(38)29(4)15-16-30(5)17-18-32(7)24(34(30,9)21-29)20-22(36)26-31(6)13-12-25(37)28(2,3)23(31)11-14-33(26,32)8/h20,23,25-26,37H,10-19,21H2,1-9H3,(H,35,38)/t23-,25-,26+,29-,30+,31-,32+,33+,34-/m0/s1
InChIKey
NJSITOSCQOTWFD-TVMUDSDESA-N
Synonyms
1029962-20-6
(2S4aS6aR6aS6bR8aR10S12aS14bR)10hydroxy24a6a6b9912a14boctamethyl13oxoNpropyl134566a788a101112dodecahydropicene2carboxamide
(2S4aS6aS6bR8aR10S12aS12bR14bR)10hydroxy24a6a6b9912a14boctamethyl13oxoNpropyl12344a566a6b788a910111212a12b1314bicosahydropicene2carboxamide
(3beta)3hydroxy18methyl11oxoNpropylolean12en30amide
1029962206
CCCNC(=O)(C@@)1(C)CC(C@)2((C@)(C1)(C)C1=CC(=O)(C@H)3(C@@)((C@@)1(CC2)C)(C)CC(C@@H)1(C@)3(C)CC(C@@H)(C1(C)C)O)C
CCCNC(=O)C1(CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2(C1)C)C)C)C
InChI=1SC34H55NO3c110193527(38)29(4)151630(5)171832(7)24(34(309)2129)2022(36)2631(6)131225(37)28(23)23(31)111433(2632)8h2023252637H101921H219H3(H3538)t232526+2930+3132+33+34m0s1
MFCD18247215
ZINC000070708528
ZINC70708528

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Available files

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