Identification

PhytoHub ID
PHUB000008
Name
Carnosol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
330.424
Monoisotopic Mass
330.183109317
Chemical Formula
C20H26O4
IUPAC Name
(1R,8S,10S)-3,4-dihydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one
InChI Key
XUSYGBPHQBWGAD-PJSUUKDQSA-N
InChI Identifier
InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
SMILES
CC(C)C1=CC2=C(C(O)=C1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O
Structure

Calculated Properties

Solubility (ALOGPS)
3.95e-02 g/l
LogS (ALOGPS)
-3.92
LogP (ALOGPS)
4.35
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
66.75999999999999
Refractivity
91.42909999999998
Polarizability
36.425804880412805
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-6.051906167096008
pKa (strongest acidic)
9.18507529801697
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Taxonomy

Family
Terpenoids
Class
Diterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Common sageHerbs and Spices PublicationsShow
RosemaryHerbs and Spices PublicationsShow

Metabolism

No metabolism information available

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