Vitas-M small molecule compound
(8xi,9xi,14xi,16xi,17xi,20xi)-28-acetylspirosol-5-en-3-yl benzoate
Catalog ID
STL525518
SMILES CC1CCC2(N(C1)C(=O)C)OC1C(C2C)[C@@]2(C(C1)C1CC=C3[C@](C1CC2)(C)CCC(C3)OC(=O)c1ccccc1)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 C36H49NO4 MW 559.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H49NO4/c1-22-13-18-36(37(21-22)24(3)38)23(2)32-31(41-36)20-30-28-12-11-26-19-27(40-33(39)25-9-7-6-8-10-25)14-16-34(26,4)29(28)15-17-35(30,32)5/h6-11,22-23,27-32H,12-21H2,1-5H3/t22?,23?,27?,28?,29?,30?,31?,32?,34-,35-,36?/m0/s1InChIKey
PXHHDOYCNJULEB-DRECWGGYSA-NSynonyms
((9~(S)13~(R))1acetyl57913tetramethylspiro(5oxapentacyclo(10800^(29)0^(48)0^(1318))icos18ene62piperidine)16yl)benzoate
(2R4S5R6aR8aS8bR9S11aS12bS)1acetyl56a8a9tetramethyl134566a6b788a8b911a1212a12bhexadecahydrospiro(naphtho(2145)indeno(21b)furan102piperidin)4ylbenzoate
(8xi9xi14xi16xi17xi20xi)28acetylspirosol5en3ylbenzoate
44666237
C(C@@H)1CC(C@@)2(N(C1)C(=O)C)O(C@@H)1(C@H)((C@@H)2C)(C@@)2(C(C1)(C@@H)1CC=C3(C@)(C1CC2)(C)CC(C@@H)(C3)OC(=O)c1ccccc1)C
InChI=1SC36H49NO4c122131836(37(2122)24(3)38)23(2)3231(4136)2030281211261927(4033(39)2597681025)141634(264)29(28)151735(3032)5h61122232732H1221H215H3t22?23?27?28?29?30?31?32?343536?m0s1
MFCD01880917
ZINC000253502350
ZINC000253502366
Check stock
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