Sclareol

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Systematic / IUPAC Name: (1R,2R,4aS,8aS)-1-[(3R)-3-Hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

ID: Reference13762

Other Names: AA-3756

Formula: C20H36O2

Class: Endogenous Metabolites

Spectral Data

Sclareol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 1/28/2026 11:38:11 AM
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Identificators

InChI InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
InChI Key XVULBTBTFGYVRC-HHUCQEJWSA-N
Canonical SMILES C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O
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Other Names AA-3756

In Other Databases

PubChem 163263
ChEMBL CHEMBL294740
ChEBI CHEBI:9053
KEGG C09183
ChemSpider 143282
LipidsMAPs LMPR0104030010
Wikipedia Sclareol