Vitas-M small molecule compound

[(1S,9R)-4-butyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol

Catalog ID
STL562240
SMILES CCCCC1OC[C@@]2([C@H](C1C(=CC2C)C)C)CO

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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 C16H28O2 MW 252.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H28O2/c1-5-6-7-14-15-11(2)8-12(3)16(9-17,10-18-14)13(15)4/h8,12-15,17H,5-7,9-10H2,1-4H3/t12?,13-,14?,15?,16+/m1/s1
InChIKey
IBXIFLWBHMUGQF-LXOMYOHXSA-N
Synonyms

((1S9R)4butyl689trimethyl3oxabicyclo(331)non6en1yl)methanol
16395299
CCCCC1OC(C@@)2((C@@H)(C1C(=CC2C)C)C)CO
InChI=1SC16H28O2c1567141511(2)812(3)16(917101814)13(15)4h8121517H57910H214H3t12?1314?15?16+m1s1
MFCD01544436
ZINC000100741083
ZINC000105363891

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.