3-Deoxycaryoptinol

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Systematic / IUPAC Name: {(1R,4aR,5S,6R,8S,8aR)-8-Acetoxy-5,6-dimethyl-5-[(2S)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl acetate

ID: Reference7952

Other Names: Caryoptinol, 3-deoxy-;
((1S,2S,5S,4R,13R)-5-(3a,6a-Dihydro-2H,3H,3aH,6aH-furano[3,2-d]oxolan-2-yl)-2-acetyloxy-4,5-dimethylspiro[bicyclo[4.4.0]decane-10,3'-oxirane]yl)methyl acetate ;
Spiro[naphthalene-1(8aH),2'-oxirane]-8a-methanol, 8-(acetyloxy)octahydro-5,6-dimethyl-5-[(2S)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, acetate, (1R,4aR,5S,6R,8S,8aR)-

Formula: C24H34O7

Spectral Data

3-Deoxycaryoptinol 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 5/15/2018 9:52:50 AM
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Identificators

InChI InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17?,18-,19+,20+,21?,22+,23+,24+/m1/s1
InChI Key CNIWQELMLPUFOS-OPVWAJEHSA-N
Canonical SMILES CC1CC(C2(C(C1(C)C3CC4C=COC4O3)CCCC25CO5)COC(=O)C)OC(=O)C
CAS
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Other Names Caryoptinol, 3-deoxy-;
((1S,2S,5S,4R,13R)-5-(3a,6a-Dihydro-2H,3H,3aH,6aH-furano[3,2-d]oxolan-2-yl)-2-acetyloxy-4,5-dimethylspiro[bicyclo[4.4.0]decane-10,3'-oxirane]yl)methyl acetate ;
Spiro[naphthalene-1(8aH),2'-oxirane]-8a-methanol, 8-(acetyloxy)octahydro-5,6-dimethyl-5-[(2S)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, acetate, (1R,4aR,5S,6R,8S,8aR)-

In Other Databases

ChemIDPlus 000464711
ChemSpider 110561
PubChem 124059