Vitas-M small molecule compound

(8xi,9xi,14xi,16xi,17xi,20xi)-28-acetylspirosol-5-en-3-yl hexanoate

Catalog ID
STL525909
SMILES CCCCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2C(C)C2(O3)CCC(CN2C(=O)C)C)C)C1)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 C35H55NO4 MW 553.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H55NO4/c1-7-8-9-10-31(38)39-26-14-16-33(5)25(19-26)11-12-27-28(33)15-17-34(6)29(27)20-30-32(34)23(3)35(40-30)18-13-22(2)21-36(35)24(4)37/h11,22-23,26-30,32H,7-10,12-21H2,1-6H3/t22?,23?,26?,27?,28?,29?,30?,32?,33-,34-,35?/m0/s1
InChIKey
WMEZNRKNUCPQAD-LCOUGZJWSA-N
Synonyms

((9~(S)13~(R))1acetyl57913tetramethylspiro(5oxapentacyclo(10800^(29)0^(48)0^(1318))icos18ene62piperidine)16yl)hexanoate
(2R4S5R6aR6bS8aS8bR9S11aS12aS12bS)1acetyl56a8a9tetramethyl134566a6b788a8b911a1212a12bhexadecahydrospiro(naphtho(2145)indeno(21b)furan102piperidin)4ylhexanoate
(8xi9xi14xi16xi17xi20xi)28acetylspirosol5en3ylhexanoate
44666602
CCCCCC(=O)O(C@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3C(C@H)3(C@@H)2(C@H)(C)(C@)2(O3)CC(C@H)(CN2C(=O)C)C)C)C1)C
InChI=1SC35H55NO4c17891031(38)3926141633(5)25(1926)11122728(33)151734(6)29(27)203032(34)23(3)35(4030)181322(2)2136(35)24(4)37h112223263032H7101221H216H3t22?23?26?27?28?29?30?32?333435?m0s1
MFCD01881136
ZINC000253502427
ZINC000253502442

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Available files

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