Results for:
PubChem ID: 6429077

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

Mass-Spectra

Compound Details

Synonymous names	CALAMENENE cis-Calamenene 483-77-2 72937-55-4 (+/-)-Cadina-1,3,5-triene Calamenene, cis-(+/-)- 5C6W67N6XM Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-cis)- R8O22WBF8L UNII-5C6W67N6XM (1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene (-)-Calamenene Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1R,4R)-rel- (Z)-calamenene 1-S-cis-Calamenene Cadina-1,3,5-triene 1S-CIS-CALAMENENE UNII-R8O22WBF8L CALAMENENE, (-)- (1S,4S)-4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene (1S,4S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene CALAMENENE, CIS-(-)- IT SHOULD BE NOTED THAT cis-calamenene is eluted late vs trans-calamenene DTXSID40880702 CHEBI:218611 PGTJIOWQJWHTJJ-STQMWFEESA-N DTXSID501042907 (-)-CADINA-1,3,5-TRIENE NS00095902 Q63398612 (1S-cis)-1,6-Dimethyl-4-(1-methylethyl)-1,2,3,4-tetrahydronaphthalene 1,2,3,4-tetrahydro-1,6-dimethyl-4(1-methylethyl)-(1s-cis)-naphthalene Rel-(1S,4S)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene (1S,4S)-1,2,3,4-TETRAHYDRO-1,6-DIMETHYL-4-(1-METHYLETHYL)NAPHTHALENE naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4- (1-methylethyl)-, (1S-cis)- NAPHTHALENE, 1,6-DIMETHYL-4-(1-METHYLETHYL)-1,2,3,4-TETRAHYDRO-, (1S-Z)-
Microorganism:	Yes
IUPAC name	(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILES	CC1CCC(C2=C1C=CC(=C2)C)C(C)C
Inchi	InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1
Formula	C15H22
PubChem ID	6429077
Molweight	202.33
LogP	5.1
Atoms	15
Bonds	1
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	aromatic compounds benzenoids terpenes
CHEBI-ID	218611
Supernatural-ID	SN0284979-04

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010688

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Lactobacillus Plantarum NA Yang et al. 2022 Eukaryota Candida Albicans ATCC MYA-2876, American Type Culture Collection Costa et al. 2020 Eukaryota Candida Glabrata ATCC 90030, American Type Culture Collection Costa et al. 2020 Eukaryota Candida Tropicalis ATCC 750, American Type Culture Collection Costa et al. 2020 Prokaryota Streptomyces Griseus NA Riu et al. 2022 Eukaryota Laccaria Bicolor n/a NA Mueller et al. 2013 Eukaryota Paxillus Involutus n/a NA Mueller et al. 2013 Eukaryota Armillaria Mellea n/a NA Mueller et al. 2013 Eukaryota Pholiota Squarrosa n/a NA Mueller et al. 2013 Eukaryota Stropharia Rugosoannulata n/a NA Mueller et al. 2013 Eukaryota Trichoderma Viride n/a NA Mueller et al. 2013 Prokaryota Cytophaga-Flavobacterium-Bacteroides n/a NA Dickschat et al. 2005_3 Prokaryota Streptomyces Caviscabies n/a NA Schulz and Dickschat 2007 Prokaryota Streptomyces Sp. n/a NA Dickschat et al. 2005_2 Eukaryota Phoma Sp. n/a NA Strobel et al. 2011

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Lactobacillus Plantarum ginkgo biloba kernel juice triple quadrupole GC-MS no Eukaryota Candida Albicans YGC media HS-SPME/GC-GC-ToFMS no Eukaryota Candida Glabrata YGC media HS-SPME/GC-GC-ToFMS no Eukaryota Candida Tropicalis YGC media HS-SPME/GC-GC-ToFMS no Prokaryota Streptomyces Griseus TSA media SPME/GC-MS no Eukaryota Laccaria Bicolor Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS no Eukaryota Paxillus Involutus Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS no Eukaryota Armillaria Mellea Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS no Eukaryota Pholiota Squarrosa Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS no Eukaryota Stropharia Rugosoannulata Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS no Eukaryota Trichoderma Viride Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS no Prokaryota Cytophaga-Flavobacterium-Bacteroides n/a n/a no Prokaryota Streptomyces Caviscabies n/a n/a no Prokaryota Streptomyces Sp. n/a n/a no Eukaryota Phoma Sp. n/a Solid phase microextraction (SPME) no