[3aS,3Z,(+)]-4β,5α-Bis(acetyloxy)-3-[2-[(Z)-3,3-dimethylcyclohexylidene]ethylidene]-3aβ,3bβ,4,5,6aβ,7aβ-hexahydrodifuro[2,3-b:3',2'-d]furan-2(3H)-one (CAS 96313-95-0) — formula C22H28O8, molecular weight 420.5; category organic chemicals.
| CAS Number | 96313-95-0 |
|---|---|
| Molecular Formula | C22H28O8 |
| Molecular Weight | 420.5 |
| LogP | 3.1 |
| Category | Organic Chemicals |
[3aS,3Z,(+)]-4β,5α-Bis(acetyloxy)-3-[2-[(Z)-3,3-dimethylcyclohexylidene]ethylidene]-3aβ,3bβ,4,5,6aβ,7aβ-hexahydrodifuro[2,3-b:3',2'-d]furan-2(3H)-one is a carbon-based organic compound with CAS registry number 96313-95-0 and molecular formula C22H28O8 (molecular weight 420.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 96313-95-0
Its molecular formula C22H28O8 comprises 22 C, 28 H, 8 O atoms.
Also known as: [3aS,3Z,(+)]-4β,5α-Bis(acetyloxy)-3-[2-[(Z)-3,3-dimethylcyclohexylidene]ethylidene]-3aβ,3bβ,4,5,6aβ,7aβ-hexahydrodifuro[2,3-b:3',2'-d]furan-2(3H)-one · [3aS,3Z,(+)]-4β,5α-双(乙酰氧基)-3-[2-[(Z)-3,3-二甲基亚环己基]亚乙基]-3aβ,3bβ,4,5,6aβ,7aβ-六氢二呋喃[2,3-b:3',2'-d]呋喃-2(3H)-酮
Category: organic chemicals
The CAS registry number of [3aS,3Z,(+)]-4β,5α-Bis(acetyloxy)-3-[2-[(Z)-3,3-dimethylcyclohexylidene]ethylidene]-3aβ,3bβ,4,5,6aβ,7aβ-hexahydrodifuro[2,3-b:3',2'-d]furan-2(3H)-one is 96313-95-0.
Molecular formula C22H28O8, molecular weight 420.5.
It is also registered under: [3aS,3Z,(+)]-4β,5α-Bis(acetyloxy)-3-[2-[(Z)-3,3-dimethylcyclohexylidene]ethylidene]-3aβ,3bβ,4,5,6aβ,7aβ-hexahydrodifuro[2,3-b:3',2'-d]furan-2(3H)-one, [3aS,3Z,(+)]-4β,5α-双(乙酰氧基)-3-[2-[(Z)-3,3-二甲基亚环己基]亚乙基]-3aβ,3bβ,4,5,6aβ,7aβ-六氢二呋喃[2,3-b:3',2'-d]呋喃-2(3H)-酮.
Category: Organic Chemicals.
Independent reference data for [3aS,3Z,(+)]-4β,5α-Bis(acetyloxy)-3-[2-[(Z)-3,3-dimethylcyclohexylidene]ethylidene]-3aβ,3bβ,4,5,6aβ,7aβ-hexahydrodifuro[2,3-b:3',2'-d]furan-2(3H)-one (CAS 96313-95-0), compiled from public chemistry databases.
| CAS 号 | 96313-95-0 |
|---|---|
| PubChem CID | 6442999 |
| 分子式 | C22H28O8 |
| IUPAC 名称 | [(1S,2R,3R,4S,6S,8R,11Z)-4-acetyloxy-11-[(2E)-2-(3,3-dimethylcyclohexylidene)ethylidene]-10-oxo-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-3-yl] acetate |
| Molecular Weight | 420.5 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 420.17841785 |
| Monoisotopic Mass | 420.17841785 |
| Topological Polar Surface Area | 97.4 |
| Heavy Atom Count | 30 |
Gracilin B; 8Z-Gracilin C; 96313-95-0; NSC 608749
[3aS,3Z,(+)]-4β,5α-双(乙酰氧基)-3-[2-[(Z)-3,3-二甲基亚环己基]亚乙基]-3aβ,3bβ,4,5,6aβ,7aβ-六氢二呋喃[2,3-b:3',2'-d]呋喃-2(3H)-酮 · CAS 96313-95-0 · C22H28O8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.