(-)-Drimenol - ≥95% , CAS No.468-68-8

CAS: 468-68-8 Cat. No.: D329486 분자식: C₁₅H₂₆O 분자량: 222.37

GRADE & PURITY ≥95%

Synonyms

(-)-Drim-7-en-11-ol | delta7,(8)-15-Hydroxyiresane | Drimenol | 1-Naphthalenemethanol, 1alpha,4,4aalpha,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (-)- | (-)-Drimenol | Q27130849 | 1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

(-)-Drim-7-en-11-ol | delta7,(8)-15-Hydroxyiresane | Drimenol | 1-Naphthalenemethanol, 1alpha,4,4aalpha,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (-)- | (-)-Drimenol | Q27130849 | 1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-,

사양 및 순도

≥95%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

• 정식 스마일: CC1=CCC2C(CCCC2(C1CO)C)(C)C
• IUPAC Name: [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
• InChIKey: HMWSKUKBAWWOJL-KCQAQPDRSA-N
• INCHI: 1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1
• 이성체 SMILES: CC1=CC[C@@H]2[C@@]([C@H]1CO)(CCCC2(C)C)C
• 분자량: 222.37
• Reaxy-Rn: 2329050
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2329050&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• External Descriptors: Drimane sesquiterpenoids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 분자량: 222.370 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 222.198 Da
• Monoisotopic Mass: 222.198 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 303.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1