Cas no 39111-07-4 (Nigranoic acid)
Nigranoic acid structure
Product Name:Nigranoic acid
CAS No:39111-07-4
MF:C30H46O4
MW:470.683849811554
CID:1499021
PubChem ID:10814237
Update Time:2025-04-21
Nigranoic acid Chemical and Physical Properties
Names and Identifiers
-
- (2Z)-6-[3a-(2-carboxyethyl)-6a,9a-dimethyl-3-(1-methylethenyl)dodecahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-7-yl]-2-methylhept-2-enoic acid
- Nigranoic acid
- (3S,3aR,4aS,6aR,7R,9aS,9bS)-7-[(1R,4Z)-5-Carboxy-1-methyl-4-hexen-1-yl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid
- HY-122935
- 3,4-Secocycloarta-4(28),24-(Z)-diene-3,26-dioic acid
- DTXSID301319075
- CHEBI:66626
- 39111-07-4
- CS-0090496
- MS-28711
- AKOS040740859
- (Z,6R)-6-(2-carboxyethyl-isopropenyl-dimethyl-[?]yl)-2-methyl-hept-2-enoic acid
- (2Z,6R)-6-[(1R,3aS,3bS,6S,6aR,7aS,9aR)-6a-(2-carboxyethyl)-3a,9a-dimethyl-6-(prop-1-en-2-yl)dodecahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-1-yl]-2-methylhept-2-enoic acid
- CHEMBL480082
- Q27135245
- BDBM50478414
- G14589
- DA-66094
- Nigranoate
- (2Z,6R)-6-((1R,3aS,3bS,6S,6aR,7aS,9aR)-6a-(2-carboxyethyl)-3a,9a-dimethyl-6-(prop-1-en-2-yl)dodecahydro-1H-cyclopenta(a)cyclopropa(e)naphthalen-1-yl)-2-methylhept-2-enoic acid
- (Z,6R)-6-[(1S,4R,5R,8S,9S,12S,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid
- (Z,6R)-6-((1S,4R,5R,8S,9S,12S,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo(7.5.0.01,13.04,8)tetradecanyl)-2-methylhept-2-enoic acid
- 3,4-Secocycloarta-4(28),24(Z)-diene-3,26-dioic acid
- 3,4-Secocycloarta-4(28),24-(Z)-diene-3,26-dioate
-
- Inchi： 1S/C30H46O4/c1-19(2)22-10-11-24-28(6)14-12-23(20(3)8-7-9-21(4)26(33)34)27(28,5)16-17-30(24)18-29(22,30)15-13-25(31)32/h9,20,22-24H,1,7-8,10-18H2,2-6H3,(H,31,32)(H,33,34)/b21-9-/t20-,22+,23-,24+,27-,28+,29-,30+/m1/s1
- InChI Key： NJFOSFIPGRXARF-BRTULJEKSA-N
- SMILES： OC(CC[C@@]12[C@H](C(=C)C)CC[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C(=O)O)/C)[C@@]4(C)CC[C@@]13C2)=O
Computed Properties
- Exact Mass: 470.34000
- Monoisotopic Mass: 470.33961
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 9
- Complexity: 904
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6
- XLogP3: 8.5
Experimental Properties
- Color/Form: Powder
- Density: 1.10±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 128-130 oC
- Boiling Point: 603°C at 760 mmHg
- Flash Point: 332.5°C
- Refractive Index: 1.549
- Solubility: Insuluble (4.7E-5 g/L) (25 oC),
- PSA: 74.60000
- LogP: 7.49360
Nigranoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| ChemScence | CS-0090496-5mg |
Nigranoic acid |
39111-07-4 | 5mg |
$650.0 | 2022-04-27 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | N57870-5mg |
Nigranoic acid |
39111-07-4 | 5mg |
￥3138.0 | 2021-09-08 | ||
| TRC | N213785-1mg |
Nigranoic acid |
39111-07-4 | 1mg |
$ 125.00 | 2022-06-03 | ||
| TRC | N213785-2.5mg |
Nigranoic acid |
39111-07-4 | 2.5mg |
$ 185.00 | 2022-06-03 | ||
| TRC | N213785-5mg |
Nigranoic acid |
39111-07-4 | 5mg |
$ 415.00 | 2022-06-03 | ||
| MedChemExpress | HY-122935-5mg |
Nigranoic acid |
39111-07-4 | ≥95.0% | 5mg |
￥4900 | 2025-04-16 | |
| A2B Chem LLC | AF89518-5mg |
NIGRANOIC ACID |
39111-07-4 | 95% | 5mg |
$685.00 | 2024-04-20 | |
| MedChemExpress | HY-122935-1mg |
Nigranoic acid |
39111-07-4 | ≥95.0% | 1mg |
￥1950 | 2025-04-16 | |
| TargetMol Chemicals | T13796-5 mg |
Nigranoic acid |
39111-07-4 | 98% | 5mg |
￥ 3,040 | 2023-07-10 | |
| TargetMol Chemicals | T13796-1 mL * 10 mM (in DMSO) |
Nigranoic acid |
39111-07-4 | 98% | 1 mL * 10 mM (in DMSO) |
￥ 3140 | 2023-09-15 |
Nigranoic acid Related Literature
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
39111-07-4 (Nigranoic acid) Related Products
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- 268214-52-4(1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoicacid,7-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexen-1-yl]decahydro-3-[1-(hydroxymethyl)ethenyl]-6a,9a-dimethyl-,(3R,3aR,4aS,6aR,7R,9aS,9bS)-)
- 329975-47-5(3,4-Secocucurbita-4,24-diene-3,26,29-trioic acid)
- 145103-38-4(A'-Neo-24,25,26,28-tetranorgammacer-3-en-23-oicacid, 5,9,13,17-tetramethyl-, (5b,8a,9b,10a,13a,14b,17a,18b)-)
- 1016260-22-2(1H-Benz[e]indene-6-propanoicacid,3-[(4Z)-5-carboxy-1-methyl-4-hexen-1-ylidene]-2,3,3a,4,6,7,8,9,9a,9b-decahydro-3a,6,9b-trimethyl-7-(1-methylethenyl)-,(3Z,3aS,6S,7S,9aS,9bS)-)
- 70818-67-6(null)
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