(2'aR,3S,5S,9'aR)-5-(3-Furanyl)-2'a,3',4,5,5',5'aα,8',9'-octahydro-4'α,9'α-dihydroxy-2'a-(hydroxymethyl)-7'β-methylspiro[furan-3(2H),6'(7'H)-[4H]naphth[1,8a-b]oxet]-2-one (CAS 87587-49-3) — formula C20H26O7, molecular weight 378.4; category organic chemicals.
| CAS Number | 87587-49-3 |
|---|---|
| Molecular Formula | C20H26O7 |
| Molecular Weight | 378.4 |
| LogP | 0 |
| Category | Organic Chemicals |
(2'aR,3S,5S,9'aR)-5-(3-Furanyl)-2'a,3',4,5,5',5'aα,8',9'-octahydro-4'α,9'α-dihydroxy-2'a-(hydroxymethyl)-7'β-methylspiro[furan-3(2H),6'(7'H)-[4H]naphth[1,8a-b]oxet]-2-one is a carbon-based organic compound with CAS registry number 87587-49-3 and molecular formula C20H26O7 (molecular weight 378.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 87587-49-3
Its molecular formula C20H26O7 comprises 20 C, 26 H, 7 O atoms.
Also known as: (2'aR,3S,5S,9'aR)-5-(3-Furanyl)-2'a,3',4,5,5',5'aα,8',9'-octahydro-4'α,9'α-dihydroxy-2'a-(hydroxymethyl)-7'β-methylspiro[furan-3(2H),6'(7'H)-[4H]naphth[1,8a-b]oxet]-2-one · (2'aR,3S,5S,9'aR)-5-(3-呋喃基)-2'a,3',4,5,5',5'aα,8',9'-八氢-4'α,9'α-二羟基- 2'a-(羟甲基)-7'β-甲基螺[呋喃-3(2H),6'(7'H)-[4H]萘[1,8a-b]氧杂环己烷]-2-酮
Category: organic chemicals
The CAS registry number of (2'aR,3S,5S,9'aR)-5-(3-Furanyl)-2'a,3',4,5,5',5'aα,8',9'-octahydro-4'α,9'α-dihydroxy-2'a-(hydroxymethyl)-7'β-methylspiro[furan-3(2H),6'(7'H)-[4H]naphth[1,8a-b]oxet]-2-one is 87587-49-3.
Molecular formula C20H26O7, molecular weight 378.4.
It is also registered under: (2'aR,3S,5S,9'aR)-5-(3-Furanyl)-2'a,3',4,5,5',5'aα,8',9'-octahydro-4'α,9'α-dihydroxy-2'a-(hydroxymethyl)-7'β-methylspiro[furan-3(2H),6'(7'H)-[4H]naphth[1,8a-b]oxet]-2-one, (2'aR,3S,5S,9'aR)-5-(3-呋喃基)-2'a,3',4,5,5',5'aα,8',9'-八氢-4'α,9'α-二羟基- 2'a-(羟甲基)-7'β-甲基螺[呋喃-3(2H),6'(7'H)-[4H]萘[1,8a-b]氧杂环己烷]-2-酮.
Category: Organic Chemicals.
Independent reference data for (2'aR,3S,5S,9'aR)-5-(3-Furanyl)-2'a,3',4,5,5',5'aα,8',9'-octahydro-4'α,9'α-dihydroxy-2'a-(hydroxymethyl)-7'β-methylspiro[furan-3(2H),6'(7'H)-[4H]naphth[1,8a-b]oxet]-2-one (CAS 87587-49-3), compiled from public chemistry databases.
| CAS 号 | 87587-49-3 |
|---|---|
| PubChem CID | 56776181 |
| 分子式 | C20H26O7 |
| IUPAC 名称 | (2aR,4S,6R,7R,9R,9aR)-5'-(furan-3-yl)-4,9-dihydroxy-2a-(hydroxymethyl)-7-methylspiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3'-oxolane]-2'-one |
| UNII（FDA） | NS00097349 |
| Molecular Weight | 378.4 |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 378.16785316 |
| Monoisotopic Mass | 378.16785316 |
| Topological Polar Surface Area | 109 |
| Heavy Atom Count | 27 |
Teucroxide; 87587-49-3; orb1992540; AKOS040734173; NCGC00385276-01; NS00097349; T124027
(2'aR,3S,5S,9'aR)-5-(3-呋喃基)-2'a,3',4,5,5',5'aα,8',9'-八氢-4'α,9'α-二羟基- 2'a-(羟甲基)-7'β-甲基螺[呋喃-3(2H),6'(7'H)-[4H]萘[1,8a-b]氧杂环己烷]-2-酮 · CAS 87587-49-3 · C20H26O7. UNII NS00097349.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.