| Identification | Back Directory | [Name]
(2R,5S)-4,4'aα,5,5',6',7',8',8'a-Octahydro-2',5,5',5',8'aβ-pentamethylspiro[furan-2(3H),1'(4'H)-naphthalene]-5-acetic acid | [CAS]
1438-57-9 | [Synonyms]
Grindelic acid
(-)-Grindelic Acid
9,13-epoxylabd-7-en-15-oic acid
Grindelic acid >=95% (LC/MS-ELSD)
(5β,9S,10α,13R)-9,13-Epoxylabd-7-en-15-oic acid
(2R,5S)-4,4'aα,5,5',6',7',8',8'a-Octahydro-2',5,5',5',8'aβ-pentamethylspiro[furan-2(3H),1'(4'H)-naphthalene]-5-acetic acid
(2S,5R)-4,4'aβ,5,5',6',7',8',8'a-Octahydro-2',5,5',5',8'aα-pentamethylspiro[furan-2(3H),1'(4'H)-naphthalene]-5-acetic acid | [Molecular Formula]
C20H32O3 | [MDL Number]
MFCD24849311 | [MOL File]
1438-57-9.mol | [Molecular Weight]
320.47 |
| Chemical Properties | Back Directory | [Melting point ]
100-101° | [alpha ]
D -102.2° | [Boiling point ]
434.7±28.0 °C(Predicted) | [density ]
1.07±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C | [form ]
solid | [pka]
4.34±0.10(Predicted) | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [InChI]
1S/C20H32O3/c1-14-7-8-15-17(2,3)9-6-10-19(15,5)20(14)12-11-18(4,23-20)13-16(21)22/h7,15H,6,8-13H2,1-5H3,(H,21,22)/t15-,18-,19-,20+/m0/s1 | [InChIKey]
XLWWERNKTLITEF-MVJPYGJCSA-N | [SMILES]
CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]13CC[C@@](C)(CC(O)=O)O3 | [LogP]
5.650 (est) |
| Hazard Information | Back Directory | [Uses]
(-)-Grindelic Acid is a natural diterpene with potential pharmaceutical applications including Nox4 inhibition and antitumor activity. |
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| Company Name: |
BOC Sciences
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| Tel: |
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| Website: |
https://www.bocsci.com |
| Company Name: |
Energy Chemical
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| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
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| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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