Basic information
- Name:
6H-3a,6-Epoxyazulen-6-ol,octahydro-3-methyl-8-methylene-5-(1-methylethyl)-, (3S,3aS,5S,6R,8aS)-
- Superlist Name:
- Curcumol
- CAS No.:
4871-97-0
- Molecular Structure:
- Formula:
- C15H24O2
- Molecular Weight:
- 236.35
- Synonyms:
- 5b-Guai-10(14)-en-8-ol, 5,8-epoxy-,(-)- (8CI);6H-3a,6-Epoxyazulen-6-ol,octahydro-3-methyl-8-methylene-5-(1-methylethyl)-, [3S-(3a,3aa,5b,6b,8ab)]-;6H-3a,6-Epoxyazulen-6-ol,octahydro-5-isopropyl-3-methyl-8-methylene- (7CI);(-)-Curcumol;
- Density:
- 1.06 g/cm3
- Boiling Point:
- 334.5 °C at 760 mmHg
- Flash Point:
- 134.7 °C
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Chemistry
Molecular structure of Curcumol (CAS NO.4871-97-0) is:
Product Name: Curcumol
CAS Registry Number: 4871-97-0
Molecular Weight: 236.34986 [g/mol]
Molecular Formula: C15H24O2
XLogP3-AA: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 2
Surface Tension: 37.679 dyne/cm
Density: 1.066 g/cm3
Flash Point: 134.69 °C
Enthalpy of Vaporization: 66.906 kJ/mol
Boiling Point: 334.509 °C at 760 mmHg
Product Categories: Miscellaneous Natural Products
Canonical SMILES: CC1CCC2C13CC(C(O3)(CC2=C)O)C(C)C
Isomeric SMILES: C[C@H]1CC[C@@H]2C13C[C@H]([C@@](O3)(CC2=C)O)C(C)C
InChI: InChI=1S/C15H24O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h9,11-13,16H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1
InChIKey: QRMPRVXWPCLVNI-XIQJJJERSA-N
Specification
Curcumol , its cas register number is 4871-97-0. It also can be called (3S-(3alpha,3aalpha,5alpha,6alpha,8abeta))-Octahydro-3-methyl-8-methylene-5-(1-methylethyl)-6H-3a,6-epoxyazulen-6-ol .It is from volatile oil of curcuma aromatica.