(1S,4R,4aS,8aS)-1,2-Bis(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-naphthalenediol

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Systematic / IUPAC Name: (1R,4S,4aS,8aS)-3,4-Bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol

ID: Reference7776

Other Names: 1,2-Naphthalenedimethanol, 1,4,4a,5,6,7,8,8a-octahydro-1,4-dihydroxy-5,5,8a-trimethyl-, (1S,4R,4aS,8aS)- ;
12-Hydroxy-6-epi-albrassitriol

Formula: C15H26O4

Spectral Data

(1S,4R,4aS,8aS)-1,2-Bis(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-naphthalenediol 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 Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/16/2018 7:16:31 AM
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Identificators

InChI InChI=1S/C15H26O4/c1-13(2)5-4-6-14(3)12(13)11(18)7-10(8-16)15(14,19)9-17/h7,11-12,16-19H,4-6,8-9H2,1-3H3/t11-,12+,14+,15-/m1/s1
InChI Key HUZKUSWQRONLOJ-PAPYEOQZSA-N
Canonical SMILES CC1(CCCC2(C1C(C=C(C2(CO)O)CO)O)C)C
CAS
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Other Names 1,2-Naphthalenedimethanol, 1,4,4a,5,6,7,8,8a-octahydro-1,4-dihydroxy-5,5,8a-trimethyl-, (1S,4R,4aS,8aS)- ;
12-Hydroxy-6-epi-albrassitriol

In Other Databases

PubChem 10588128
ChemSpider 8763503