(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 methyl ester (CAS 1438-58-0) — formula C21H34O3, molecular weight 334.5; category organic chemicals.
| CAS Number | 1438-58-0 |
|---|---|
| Molecular Formula | C21H34O3 |
| Molecular Weight | 334.5 |
| LogP | 4.4 |
| Category | Organic Chemicals |
(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 methyl ester is a carbon-based organic compound with CAS registry number 1438-58-0 and molecular formula C21H34O3 (molecular weight 334.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1438-58-0
Its molecular formula C21H34O3 comprises 21 C, 34 H, 3 O atoms.
Also known as: (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 methyl ester · (2R,5S)-4,4'aα,5,5',6',7',8',8'a-八氢-2',5,5',5',8'aβ-五甲基螺[呋喃-2(3H),1'(4'H)-萘]-5-乙酸甲酯
Category: organic chemicals
The CAS registry number of (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 methyl ester is 1438-58-0.
Molecular formula C21H34O3, molecular weight 334.5.
It is also registered under: (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 methyl ester, (2R,5S)-4,4'aα,5,5',6',7',8',8'a-八氢-2',5,5',5',8'aβ-五甲基螺[呋喃-2(3H),1'(4'H)-萘]-5-乙酸甲酯.
Category: Organic Chemicals.
Independent reference data for (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 methyl ester (CAS 1438-58-0), compiled from public chemistry databases.
| CAS 号 | 1438-58-0 |
|---|---|
| PubChem CID | 7302450 |
| 分子式 | C21H34O3 |
| IUPAC 名称 | methyl 2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetate |
| UNII（FDA） | 766CLX68VM |
| Molecular Weight | 334.5 |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 334.25079494 |
| Monoisotopic Mass | 334.25079494 |
| Topological Polar Surface Area | 35.5 |
| Heavy Atom Count | 24 |
Grindelic acid methyl ester; Methyl grindeloate; Grindelic acid methyl ester [MI]; UNII-766CLX68VM; 1438-58-0; Grindelic acid methyl ester, (-)-; 766CLX68VM; Labd-7-en-15-oic acid, 9,13-epoxy-, methyl ester; Methyl grindelic acid; RefChem:144439; Methyl grindelate; CHEMBL2419213; Q27266459
(2R,5S)-4,4'aα,5,5',6',7',8',8'a-八氢-2',5,5',5',8'aβ-五甲基螺[呋喃-2(3H),1'(4'H)-萘]-5-乙酸甲酯 · CAS 1438-58-0 · C21H34O3. UNII 766CLX68VM.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (2R,5S)-4,4'aα,5,5',6',7',8',8'a-八氢-2',5,5',5',8'aβ-五甲基螺[呋喃-2(3H),1'(4'H)-萘]-5-乙酸甲酯