Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16xi,17xi,20xi)-spirosolan-3-ol
Catalog ID
STL564483
SMILES CC1CCC2(NC1)OC1C(C2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1CC2)(C)CCC(C3)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 C27H45NO2 MW 415.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16?,17?,18-,19?,20?,21?,22?,23?,24?,25-,26-,27?/m0/s1InChIKey
XYNPYHXGMWJBLV-MVPOFNDCSA-NSynonyms
(2aS2R4S5R6aS6bS8aS8bR9S11aS12aS12bR)56a8a9tetramethyloctadecahydrospiro(naphtho(2145)indeno(21b)furan102piperidin)4ol
(5alpha8xi9xi14xi16xi17xi20xi)spirosolan3ol
(9S13S18S)57913tetramethylspiro(5oxapentacyclo(108002904801318)icosane62piperidine)16ol
145705501
C(C@@H)1CC(C@@)2(NC1)O(C@@H)1(C@H)((C@@H)2C)(C@@)2((C@@H)(C1)(C@@H)1CC(C@@H)3(C@)((C@H)1CC2)(C)CC(C@@H)(C3)O)C
InChI=1SC27H45NO2c11671227(281516)17(2)2423(3027)14222065181319(29)81025(183)21(20)91126(2224)4h16242829H515H214H3t16?17?1819?20?21?22?23?24?252627?m0s1
ZINC000257359019
ZINC000257359025
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