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ScientificNameLabel
7-alpha-Hydroxy-manool
PHCD compound ID : 2712
Chemical Names :
7-alpha-Hydroxy-manool
Molecular Formula : C20H34O2
Molecular Weight : 306.25588
More Details :
Names & Synonyms: (2R,4R,4aS,8aS)-4-[(3R)-3-hydroxy-3-methyl-pent-4-enyl]-4a,8,8-trimethyl-3-methylene-decalin-2-ol , (2R,4R,4aS,8aS)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-4a,8,8-trimethyl-3-methylene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol , (2R,4R,4aS,8aS)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol , (2R,4R,4aS,8aS)-4a,8,8-trimethyl-3-methylidene-4-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
Smiles: C=C[C@@](CC[C@H]1C(=C)[C@H](O)C[C@@H]2[C@]1(C)CCCC2(C)C)(O)C
InChi : InChI=1S/C20H34O2/c1-7-19(5,22)12-9-15-14(2)16(21)13-17-18(3,4)10-8-11-20(15,17)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16+,17-,19-,20+/m0/s1
InChi Key : InChIKey=ANTWOQSCTZFYJO-SQIBXOBRSA-N
PubChem ID : 44584271
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.825888
Hydrogen bond donor count : 2 Electric dipole moment : 2.943
XLogP : 5.214 VDW volume : 342.07077
Molecular weight : 306.25588 HOMO-LUMO gap : 10.749000
Herb list :
Refrences & Litretures:
  
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
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