(+)-Sclareolide

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Systematic / IUPAC Name: (3aR,5aS,9aS,9bR)-3a,6,6,9a-Tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[E][1]benzofuran-2-one

ID: Reference13825

Other Names: Sclareolide;
AA-4297

Formula: C16H26O2

Class: Endogenous Metabolites Personal Care Products/Cosmetics

Spectral Data

(+)-Sclareolide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 3072
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/12/2026 3:14:40 PM
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Identificators

InChI InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3/t11-,12+,15-,16+/m0/s1
InChI Key IMKJGXCIJJXALX-SHUKQUCYSA-N
Canonical SMILES CC1(C)CCC[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12
CAS
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Other Names Sclareolide;
AA-4297

In Other Databases

PubChem 929262; 929262
Wikipedia Sclareolide
ChemSpider 809894
ChEMBL CHEMBL304461