neo-Abietic acid
neo-Abietic acid structure
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Common Name | neo-Abietic acid | ||
|---|---|---|---|---|
| CAS Number | 471-77-2 | Molecular Weight | 302.451 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 433.4±44.0 °C at 760 mmHg | |
| Molecular Formula | C20H30O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 206.0±23.1 °C | |
Use of neo-Abietic acidNeoabietic acid is an abietic-type acid isolated from the oleoresin and rosin of Pinus palustris. Neoabietic acid is highly susceptible to mineral acid. Neoabietic acid has antibacterial activity in vitro[1][2][3]. |
Summary: Neoabietic acid, also known as neo-Abietic acid, has a CAS number of 471-77-2, with a molecular formula of C20H30O2 and a molecular weight of 302.451. Isolated from the oleoresin and rosin of Pinus palustris, neoabietic acid has a boiling point of 433.4±44.0 °C and a density of 1.1±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Neoabietic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Neoabietic acid is an abietic-type acid isolated from the oleoresin and rosin of Pinus palustris. Neoabietic acid is highly susceptible to mineral acid. Neoabietic acid has antibacterial activity in vitro[1][2][3]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 433.4±44.0 °C at 760 mmHg |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.451 |
| Flash Point | 206.0±23.1 °C |
| Exact Mass | 302.224579 |
| PSA | 37.30000 |
| LogP | 6.67 |
| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
| Index of Refraction | 1.542 |
| InChIKey | KGMSWPSAVZAMKR-ONCXSQPRSA-N |
| SMILES | CC(C)=C1C=C2CCC3C(C)(C(=O)O)CCCC3(C)C2CC1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA
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This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
|---|---|
| DownStream 3 | |
CAS#:483-65-8
CAS#:514-10-3
CAS#:1945-53-5This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 8(14),13(15)-Abietadien-18-oic acid |
| [1theta-(1alpha,4abeta,4balpha,10aalpha)]-methyl-7-(1-methylethylidene) |
| Abieta-8(14),13(15)-dien-18-oic acid |
| neo-Abietic acid |
| NEOABIETIC ACID,STANDARD FOR GC |
| Abieta-8(14),13(15)-dien-18-saeure |
| 13-Isopropylidenepodocarp-8(14)-en-18-oic acid |
| 13-isopropylidene-podocarp-8(14)-en-15-oicaci |
| Podocarp-8(14)-en-15-oic acid,13-isopropylidene |
| CTCM 189 |
| Abietadien-(8(14).13(15))-saeure-(18) |
| Neoabietinsaeure |
| Neoabietsaeure |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does Neoabietic acid have? |
| A: English synonyms of Neoabietic acid: 8(14),13(15)-Abietadien-18-oic acid, [1theta-(1alpha,4abeta,4balpha,10aalpha)]-methyl-7-(1-methylethylidene), Abieta-8(14),13(15)-dien-18-oic acid, neo-Abietic acid, NEOABIETIC ACID,STANDARD FOR GC, Abieta-8(14),13(15)-dien-18-saeure, 13-Isopropylidenepodocarp-8(14)-en-18-oic acid, 13-isopropylidene-podocarp-8(14)-en-15-oicaci, Podocarp-8(14)-en-15-oic acid,13-isopropylidene, CTCM 189, Abietadien-(8(14).13(15))-saeure-(18), Neoabietinsaeure, Neoabietsaeure. |
| Q: What is the molecular weight of Neoabietic acid? |
| A: Molecular weight of Neoabietic acid is 302.451. |
| Q: What is the molecular formula of Neoabietic acid? |
| A: Molecular formula of Neoabietic acid is C20H30O2. |
| Q: What is the CAS number of Neoabietic acid? |
| A: CAS number of Neoabietic acid is 471-77-2. |
| Q: What is the LogP of Neoabietic acid? |
| A: LogP of Neoabietic acid is 6.67. |
| Q: What are the uses of Neoabietic acid? |
| A: Main uses of Neoabietic acid: Neoabietic acid is an abietic-type acid isolated from the oleoresin and rosin of Pinus palustris. Neoabietic acid is highly susceptible to mineral acid. Neoabietic acid has antibacterial activity in vitro[1][2][3]. |
| Q: What is the SMILES notation of Neoabietic acid? |
| A: SMILES notation of Neoabietic acid is CC(C)=C1C=C2CCC3C(C)(C(=O)O)CCCC3(C)C2CC1. |
| Q: What are the downstream products of Neoabietic acid? |
| A: Related downstream products(CAS) of Neoabietic acid: 483-65-8;514-10-3;1945-53-5. |
| Q: What is the InChIKey of Neoabietic acid? |
| A: InChIKey of Neoabietic acid is KGMSWPSAVZAMKR-ONCXSQPRSA-N. |
| Q: What is the polar surface area (PSA) of Neoabietic acid? |
| A: Polar surface area (PSA) of Neoabietic acid is 37.30000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |