T-Cadinol

T-Cadinol
Compound Structure:
Synonyms: Cedrelanol ;T-Cadinol ;tau-Cadinol ;5937-11-1 T ;Cadinol
Compound ID: NMPC-1518
PubChem ID:

160799
Molecular Formula: C15H26O
Canonical SMILES: CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
InChIKey: LHYHMMRYTDARSZ-XQLPTFJDSA-N
About the compound:

Tau-cadinol is a cadinanesesquiterpenoid that is cadin-4-ene carrying a hydroxy substituent at position 10. It has a role as a volatile oil component and a plant metabolite. It is a cadinanesesquiterpenoid, a carbobicyclic compound, a tertiary alcohol and a member of octahydronaphthalenes.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

3.3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

222.198365449 g/mol

Monoisotopic Mass

222.198365449 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

292

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Boiling Point

302.00 to 304.00 °C. @ 760.00 mm Hg

Melting Point

139 - 140 °C

Source:PubChem
Source Species: Monodora tenuifolia
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