Identification

PhytoHub ID
PHUB002020
Name
Carnosic Acid
Synonyms
  • (4AR)-5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carbox
  • 4a(2H)-Phenanthrenecarboxylic acid
  • RoseOx
  • Salvin
CAS Number
3650-09-7
Average Mass
332.4339
Monoisotopic Mass
332.198759384
Chemical Formula
C20H28O4
IUPAC Name
salvin
InChI Key
QRYRORQUOLYVBU-VBKZILBWSA-N
InChI Identifier
InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1
SMILES
[H][C@@]12CCC3=CC(C(C)C)=C(O)C(O)=C3[C@]1(CCCC2(C)C)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
7.79e-02 g/l
LogS (ALOGPS)
-3.63
LogP (ALOGPS)
4.16
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
2
Polar Surface Area
77.76
Refractivity
93.40579999999999
Polarizability
37.11895526118904
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-6.00916058522994
pKa (strongest acidic)
4.292945414120731
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Taxonomy

Family
Terpenoids
Class
Diterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

Metabolism

No metabolism information available

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