Bicyclohomofarnesal

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Catalog Number

ACM3243365

Product Name

Bicyclohomofarnesal

Structure

CAS

3243-36-5

Category

Heterocyclic Organic Compound

Synonyms

Ambral

IUPAC Name

2-[(1S,4aS,8aS)-5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetaldehyde

Molecular Weight

234.38

Molecular Formula

C₁₆H₂₆O

Canonical SMILES

CC1(CCCC2(C1CCC(=C)C2CC=O)C)C

InChI

InChI=1S/C16H26O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h11,13-14H,1,5-10H2,2-4H3/t13-,14-,16+/m0/s1

InChI Key

BFWKKBSHTOEBHL-OFQRWUPVSA-N

Boiling Point

307 ºC

Flash Point

145 ºC

Density

0.94

Exact Mass

234.198365449

Isomeric SMILES

C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC=O)(C)C

Monoisotopic Mass

234.198365449

Topological Polar Surface Area

17.1 Å²

MSDS

COA

Spec Sheet

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