grindelic acid
labd-7-en-15-oic acid, 9,13-epoxy-
Identification
| Name | grindelic acid |
| IUPAC | 2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid |
| CAS Number | 1438-57-9 |
| FDA UNII | 4QX9FCD1IN |
| Molecular Formula | C20 H32 O3 |
| Molecular Weight | 320.47264000 |
| MDL Number | MFCD24849311 |
| Nikkaji Number | J17.207C |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 100.50 °C. @ 760.00 mm Hg |
| Boiling Point | 434.70 °C. @ 760.00 mm Hg (est) |
| Flash Point | 294.00 °F. TCC ( 145.80 °C. ) (est) |
| logP (o/w) | 5.650 (est) |
| Soluble in | water, 0.09366 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for grindelic acid usage levels up to | not for fragrance use. |
| Recommendation for grindelic acid flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
9,13-
epoxylabd-7-en-15-oic acid
labd-7-en-15-oic acid, 9,13-epoxy-
2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-
pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
PubMed:
Derivatives of grindelic acid: from a non-active natural diterpene to synthetic antitumor derivatives.
PubMed:
Stereo- and regioselective hydroxylation of grindelic acid derivatives by Aspergillus niger.
PubMed:
Manoyl oxide alpha-arabinopyranoside and grindelic acid diterpenoids from Grindelia integrifolia.
PubMed:
Phytotoxic compounds from Xanthocephalum gymnospermoides var. eradiatum.
PubMed:
Diterpenoid acids from Grindelia nana.